4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide

C18H20ClN3O — CID 109218660

IUPAC4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C18H20ClN3O/c19-14-5-7-15(8-6-14)21-18(23)17-13-16(9-10-20-17)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,23)
InChIKeyHPZNUDVPLRGVIJ-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.37
Rot. Bonds3

About 4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide

4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide (PubChem CID 109218660) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
PubChem CID109218660
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C18H20ClN3O/c19-14-5-7-15(8-6-14)21-18(23)17-13-16(9-10-20-17)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,23)
InChIKeyHPZNUDVPLRGVIJ-UHFFFAOYSA-N
XLogP4.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109218677
N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203970
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435
N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773659
2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide (CID 109218660) is 4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide?
The InChIKey is HPZNUDVPLRGVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-14-5-7-15(8-6-14)21-18(23)17-13-16(9-10-20-17)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,23).
What are the key properties of 4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide?
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109218660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).