6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide

C22H27N5O — CID 154736849

IUPAC6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)c(C#N)cc1N(C)C
InChIInChI=1S/C22H27N5O/c1-16-12-19(18(14-23)13-20(16)26(2)3)25-22(28)17-8-9-21(24-15-17)27-10-6-4-5-7-11-27/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,25,28)
InChIKeyNXPPZKJEYHQAKO-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.96
Rot. Bonds4

About 6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide

6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide (PubChem CID 154736849) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide
PubChem CID154736849
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)c(C#N)cc1N(C)C
InChIInChI=1S/C22H27N5O/c1-16-12-19(18(14-23)13-20(16)26(2)3)25-22(28)17-8-9-21(24-15-17)27-10-6-4-5-7-11-27/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,25,28)
InChIKeyNXPPZKJEYHQAKO-UHFFFAOYSA-N
XLogP3.96
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 36995922
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656
6-(azetidin-1-yl)-N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2,4-dimethylphenyl]pyridine-3-carboxamide
CID 129101603
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
N-[2-methyl-5-(2-phenylethyl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide;4-(2-phenylethyl)-2-[(6-piperidin-1-ylpyridine-3-carbonyl)amino]benzoic acid
CID 160716851
N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84571011
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
azetidine;6-(azetidin-1-yl)-N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2,4-dimethylphenyl]pyridine-3-carboxamide;6-chloro-N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2,4-dimethylphenyl]pyridine-3-carboxamide;hydrochloride
CID 159701231
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 69188440

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide (CID 154736849) is 6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)c(C#N)cc1N(C)C.
What is the InChIKey of 6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide?
The InChIKey is NXPPZKJEYHQAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-12-19(18(14-23)13-20(16)26(2)3)25-22(28)17-8-9-21(24-15-17)27-10-6-4-5-7-11-27/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,25,28).
What are the key properties of 6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide?
6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[2-cyano-4-(dimethylamino)-5-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154736849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).