4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide

C21H19N3O2 — CID 109209720

IUPAC4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccnc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O2/c1-15(25)17-8-5-9-18(12-17)24-19-10-11-22-20(13-19)21(26)23-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,24)(H,23,26)
InChIKeyHMFOFEHVKWUVQS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.96
Rot. Bonds6

About 4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide

4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide (PubChem CID 109209720) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
PubChem CID109209720
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccnc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O2/c1-15(25)17-8-5-9-18(12-17)24-19-10-11-22-20(13-19)21(26)23-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,24)(H,23,26)
InChIKeyHMFOFEHVKWUVQS-UHFFFAOYSA-N
XLogP3.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109211673
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109209757
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327306
4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213605
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109220139
4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212220
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide?
The IUPAC name of 4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide (CID 109209720) is 4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide is CC(=O)c1cccc(Nc2ccnc(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of 4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide?
The InChIKey is HMFOFEHVKWUVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15(25)17-8-5-9-18(12-17)24-19-10-11-22-20(13-19)21(26)23-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide?
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide is sourced from PubChem (CID 109209720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).