2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide

C19H22ClN3O — CID 84576944

IUPAC2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccnc1N1CCCCCC1
InChIInChI=1S/C19H22ClN3O/c1-14-8-9-15(20)13-17(14)22-19(24)16-7-6-10-21-18(16)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3,(H,22,24)
InChIKeyDLIFGMNIKMEILB-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.68
Rot. Bonds3

About 2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide

2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 84576944) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide
PubChem CID84576944
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccnc1N1CCCCCC1
InChIInChI=1S/C19H22ClN3O/c1-14-8-9-15(20)13-17(14)22-19(24)16-7-6-10-21-18(16)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3,(H,22,24)
InChIKeyDLIFGMNIKMEILB-UHFFFAOYSA-N
XLogP4.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375
2-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84575233
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617
N-(2-methoxy-5-methyl-3-pyridinyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 122144270
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
N-(4-chloro-2-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360413
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
N-(5-chloro-2-methylphenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071678
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide (CID 84576944) is 2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cccnc1N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is DLIFGMNIKMEILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14-8-9-15(20)13-17(14)22-19(24)16-7-6-10-21-18(16)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3,(H,22,24).
What are the key properties of 2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide?
2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 84576944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).