6-Morpholino-4-(o-tolyl)nicotinonitrile - CAS 825638-01-5

Catalog:	BB036857
Product Name:	6-Morpholino-4-(o-tolyl)nicotinonitrile
CAS:	825638-01-5
Synonyms:	4-(2-methylphenyl)-6-(4-morpholinyl)-3-pyridinecarbonitrile; 4-(2-methylphenyl)-6-morpholin-4-ylpyridine-3-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(2-methylphenyl)-6-morpholin-4-ylpyridine-3-carbonitrile
Description:	6-Morpholino-4-(o-tolyl)nicotinonitrile (CAS# 825638-01-5 ) is a useful research chemical.
Molecular Weight:	279.34
Molecular Formula:	C17H17N3O
Canonical SMILES:	CC1=CC=CC=C1C2=CC(=NC=C2C#N)N3CCOCC3
InChI:	InChI=1S/C17H17N3O/c1-13-4-2-3-5-15(13)16-10-17(19-12-14(16)11-18)20-6-8-21-9-7-20/h2-5,10,12H,6-9H2,1H3
InChI Key:	UVHWTUYCOIGIDH-UHFFFAOYSA-N
LogP:	2.83028

Publication Number	Title	Priority Date
CA-2572645-A1	Process for preparing carboxamide derivatives used as intermediates in the synthesis of nk-1 receptor antagonists	20040706
CA-2572645-C	Process for preparing carboxamide derivatives used as intermediates in the synthesis of nk-1 receptor antagonists	20040706
EP-1776342-A1	Process for preparing carboxamide pyridine derivatives used as intermediates in the synthesis of nk-1 receptor antagonists	20040706
EP-1776342-B1	Process for preparing carboxamide pyridine derivatives used as intermediates in the synthesis of nk-1 receptor antagonists	20040706
ES-2359722-T3	PROCESS OF OBTAINING PIRIDINE-CARBOXAMIDE DERIVATIVES AS INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF ANTAGONISTS OF NK1 RECEPTORS.	20040706

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Complexity:	385
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.137162174
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	279.137162174
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6