5-Methylnicotinamide - CAS 70-57-5

Catalog:	BB034181
Product Name:	5-Methylnicotinamide
CAS:	70-57-5
Synonyms:	5-methyl-3-pyridinecarboxamide; 5-methylpyridine-3-carboxamide

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Computed Properties

IUPAC Name:	5-methylpyridine-3-carboxamide
Description:	5-Methylnicotinamide (CAS# 70-57-5) is used in the design of new fluorescent probe.
Molecular Weight:	136.15
Molecular Formula:	C7H8N2O
Canonical SMILES:	CC1=CN=CC(=C1)C(=O)N
InChI:	InChI=1S/C7H8N2O/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3,(H2,8,10)
InChI Key:	BCCUXBGEPLKSEX-UHFFFAOYSA-N
Boiling Point:	290 °C at 760 mmHg
Density:	1.157 g/cm³
MDL:	MFCD05664041
LogP:	1.18920

Publication Number	Title	Priority Date
WO-2021101854-A1	Compounds and methods of preparing compounds s1p1 modulators	20191119
KR-20210052356-A	Method and Kit for Determining Reactivity to PARP inhibitor	20191030
WO-2021086107-A1	Method for determining reactivity to parp inhibitor	20191030
WO-2021065849-A1	Medium for culturing hepatocytes, production method for hepatocytes, and hepatocytes	20190930
WO-2021048235-A1	Treatment of hr deficient cancer	20190910

PMID	Publication Date	Title	Journal
12081495	20020702	Mechanism-based inhibitors of CD38: a mammalian cyclic ADP-ribose synthetase	Biochemistry
6145526	19840701	Enhancement of DEN initiation of liver carcinogenesis by inhibitors of NAD+ ADP ribosyl transferase in rats	Carcinogenesis

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Carbonyl Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.063662883
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	56
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1