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

C20H25N3O — CID 109196864

IUPAC5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)c(C)c1
InChIInChI=1S/C20H25N3O/c1-15-7-9-18(16(2)13-15)22-20(24)19-10-8-17(14-21-19)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,24)
InChIKeyTZKQTKSVQPSZGW-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.33
Rot. Bonds3

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

5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109196864) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109196864
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)c(C)c1
InChIInChI=1S/C20H25N3O/c1-15-7-9-18(16(2)13-15)22-20(24)19-10-8-17(14-21-19)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,24)
InChIKeyTZKQTKSVQPSZGW-UHFFFAOYSA-N
XLogP4.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109194484
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182834
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182869
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182144
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
CID 78904439
2-(2,4-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314728

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide (CID 109196864) is 5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)c(C)c1.
What is the InChIKey of 5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is TZKQTKSVQPSZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-7-9-18(16(2)13-15)22-20(24)19-10-8-17(14-21-19)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,24).
What are the key properties of 5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide?
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109196864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).