2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide

C20H16ClN3O2 — CID 109177507

IUPAC2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)c1
InChIInChI=1S/C20H16ClN3O2/c1-13(25)14-3-2-4-18(11-14)23-19-12-15(9-10-22-19)20(26)24-17-7-5-16(21)6-8-17/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeyWLVCMPBTOMFGAX-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.93
Rot. Bonds5

About 2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide

2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide (PubChem CID 109177507) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
PubChem CID109177507
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)c1
InChIInChI=1S/C20H16ClN3O2/c1-13(25)14-3-2-4-18(11-14)23-19-12-15(9-10-22-19)20(26)24-17-7-5-16(21)6-8-17/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeyWLVCMPBTOMFGAX-UHFFFAOYSA-N
XLogP4.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170977
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177564
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
1-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865840
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178041
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide (CID 109177507) is 2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide is CC(=O)c1cccc(Nc2cc(C(=O)Nc3ccc(Cl)cc3)ccn2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide?
The InChIKey is WLVCMPBTOMFGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-13(25)14-3-2-4-18(11-14)23-19-12-15(9-10-22-19)20(26)24-17-7-5-16(21)6-8-17/h2-12H,1H3,(H,22,23)(H,24,26).
What are the key properties of 2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide?
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).