N-(4-Iodo-pyridin-3-yl)-2,2-dimethyl-propionamide - CAS 113975-32-9

Name: N-(4-Iodo-pyridin-3-yl)-2,2-dimethyl-propionamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003288
Product Name:	N-(4-Iodo-pyridin-3-yl)-2,2-dimethyl-propionamide
CAS:	113975-32-9
Synonyms:	N-(4-iodopyridin-3-yl)-2,2-dimethylpropanamide

Technical Data

IUPAC Name:	N-(4-iodopyridin-3-yl)-2,2-dimethylpropanamide
Description:	N-(4-Iodo-pyridin-3-yl)-2,2-dimethyl-propionamide (CAS# 113975-32-9) is a useful research chemical.
Molecular Weight:	304.13
Molecular Formula:	C10H13IN2O
Canonical SMILES:	CC(C)(C)C(=O)NC1=C(C=CN=C1)I
InChI:	InChI=1S/C10H13IN2O/c1-10(2,3)9(14)13-8-6-12-5-4-7(8)11/h4-6H,1-3H3,(H,13,14)
InChI Key:	MWRKADKNFCJKNN-UHFFFAOYSA-N
Boiling Point:	391.6 °C at 760 mmHg
Density:	1.623 g/cm³
MDL:	MFCD06659003
LogP:	2.74380

Publication Number	Title	Priority Date
CA-3013850-A1	Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof	20160212
EP-3414244-A1	Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof	20160212
JP-2019504898-A	Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidase and uses thereof	20160212
US-2019040007-A1	Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof	20160212
WO-2017136870-A1	Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof	20160212

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	304.00726
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	304.00726
Rotatable Bond Count:	2
Topological Polar Surface Area:	42
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1