6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide

C21H22N4O — CID 84573850

IUPAC6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C21H22N4O/c26-21(24-17-10-5-8-16-9-7-13-22-20(16)17)18-11-6-12-19(23-18)25-14-3-1-2-4-15-25/h5-13H,1-4,14-15H2,(H,24,26)
InChIKeyJGAMHFUPDDLKNY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.26
Rot. Bonds3

About 6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide

6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 84573850) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID84573850
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C21H22N4O/c26-21(24-17-10-5-8-16-9-7-13-22-20(16)17)18-11-6-12-19(23-18)25-14-3-1-2-4-15-25/h5-13H,1-4,14-15H2,(H,24,26)
InChIKeyJGAMHFUPDDLKNY-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

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Related Compounds

2-methyl-6-piperidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109363589
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
N-(2-ethylphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573709
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 84573739
5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109241399
5-morpholin-4-yl-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109276722
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715
6-pyrrolidin-1-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 84573602
6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide (CID 84573850) is 6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide is O=C(Nc1cccc2cccnc12)c1cccc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is JGAMHFUPDDLKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(24-17-10-5-8-16-9-7-13-22-20(16)17)18-11-6-12-19(23-18)25-14-3-1-2-4-15-25/h5-13H,1-4,14-15H2,(H,24,26).
What are the key properties of 6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-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 6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 84573850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).