5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide

C19H20N4O — CID 109196949

IUPAC5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C19H20N4O/c20-13-15-5-7-16(8-6-15)22-19(24)18-10-9-17(14-21-18)23-11-3-1-2-4-12-23/h5-10,14H,1-4,11-12H2,(H,22,24)
InChIKeyDXLDOHOVEYCMMQ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.59
Rot. Bonds3

About 5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide

5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109196949) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
PubChem CID109196949
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C19H20N4O/c20-13-15-5-7-16(8-6-15)22-19(24)18-10-9-17(14-21-18)23-11-3-1-2-4-12-23/h5-10,14H,1-4,11-12H2,(H,22,24)
InChIKeyDXLDOHOVEYCMMQ-UHFFFAOYSA-N
XLogP3.59
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide
CID 142608157
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
N-(4-cyanophenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109359625
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109318438
6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588
N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197949
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide (CID 109196949) is 5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)cc1.
What is the InChIKey of 5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is DXLDOHOVEYCMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-13-15-5-7-16(8-6-15)22-19(24)18-10-9-17(14-21-18)23-11-3-1-2-4-12-23/h5-10,14H,1-4,11-12H2,(H,22,24).
What are the key properties of 5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide?
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.59, 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-(4-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109196949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).