5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide

C21H22N4O — CID 109241399

IUPAC5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cncc(N2CCCCCC2)c1
InChIInChI=1S/C21H22N4O/c26-21(24-19-9-5-7-16-8-6-10-23-20(16)19)17-13-18(15-22-14-17)25-11-3-1-2-4-12-25/h5-10,13-15H,1-4,11-12H2,(H,24,26)
InChIKeyIWIGFXWKBRBFRG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.26
Rot. Bonds3

About 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide

5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109241399) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109241399
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cncc(N2CCCCCC2)c1
InChIInChI=1S/C21H22N4O/c26-21(24-19-9-5-7-16-8-6-10-23-20(16)19)17-13-18(15-22-14-17)25-11-3-1-2-4-12-25/h5-10,13-15H,1-4,11-12H2,(H,24,26)
InChIKeyIWIGFXWKBRBFRG-UHFFFAOYSA-N
XLogP4.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238742
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715
6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 84573850
5-(4-methylpiperidine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109103274
5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109104633
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide (CID 109241399) is 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide is O=C(Nc1cccc2cccnc12)c1cncc(N2CCCCCC2)c1.
What is the InChIKey of 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is IWIGFXWKBRBFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(24-19-9-5-7-16-8-6-10-23-20(16)19)17-13-18(15-22-14-17)25-11-3-1-2-4-12-25/h5-10,13-15H,1-4,11-12H2,(H,24,26).
What are the key properties of 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide?
5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109241399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).