N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride

C20H23ClN4O — CID 129003838

IUPACN-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
SMILESCl.N#Cc1ccc(C(=O)N(Cc2ccccn2)C2CCCNCC2)cc1
InChIInChI=1S/C20H22N4O.ClH/c21-14-16-6-8-17(9-7-16)20(25)24(15-18-4-1-2-12-23-18)19-5-3-11-22-13-10-19;/h1-2,4,6-9,12,19,22H,3,5,10-11,13,15H2;1H
InChIKeyLOWMQYCQBCITSM-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.16
Rot. Bonds4

About N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride

N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 129003838) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
PubChem CID129003838
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
SMILESCl.N#Cc1ccc(C(=O)N(Cc2ccccn2)C2CCCNCC2)cc1
InChIInChI=1S/C20H22N4O.ClH/c21-14-16-6-8-17(9-7-16)20(25)24(15-18-4-1-2-12-23-18)19-5-3-11-22-13-10-19;/h1-2,4,6-9,12,19,22H,3,5,10-11,13,15H2;1H
InChIKeyLOWMQYCQBCITSM-UHFFFAOYSA-N
XLogP3.16
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride
CID 129003740
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 129008074
N-[(4S)-azepan-4-yl]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225
N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129006545
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 126777867
N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride
CID 129005585
N-[(4S)-azepan-4-yl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 129476433
N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 129398986
N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 126790216
4-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]benzonitrile
CID 129343587

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride (CID 129003838) is N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride is Cl.N#Cc1ccc(C(=O)N(Cc2ccccn2)C2CCCNCC2)cc1.
What is the InChIKey of N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is LOWMQYCQBCITSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.ClH/c21-14-16-6-8-17(9-7-16)20(25)24(15-18-4-1-2-12-23-18)19-5-3-11-22-13-10-19;/h1-2,4,6-9,12,19,22H,3,5,10-11,13,15H2;1H.
What are the key properties of N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 129003838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).