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

C20H25N3O — CID 109218647

IUPAC4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C20H25N3O/c1-2-16-9-5-6-10-18(16)22-20(24)19-15-17(11-12-21-19)23-13-7-3-4-8-14-23/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,22,24)
InChIKeyLRZUYVZWYKDYNN-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.28
Rot. Bonds4

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

4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide (PubChem CID 109218647) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
PubChem CID109218647
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C20H25N3O/c1-2-16-9-5-6-10-18(16)22-20(24)19-15-17(11-12-21-19)23-13-7-3-4-8-14-23/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,22,24)
InChIKeyLRZUYVZWYKDYNN-UHFFFAOYSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109209206
4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109218661
4-piperidin-1-yl-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109204673
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109218712
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787
N-(2-ethylphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573709
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide (CID 109218647) is 4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide is CCc1ccccc1NC(=O)c1cc(N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide?
The InChIKey is LRZUYVZWYKDYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-16-9-5-6-10-18(16)22-20(24)19-15-17(11-12-21-19)23-13-7-3-4-8-14-23/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,22,24).
What are the key properties of 4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide?
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.28, 4 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-(2-ethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109218647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).