4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide

C21H18ClN3O2 — CID 109211673

IUPAC4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccnc(C(=O)NCc3ccccc3Cl)c2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)15-6-4-7-17(11-15)25-18-9-10-23-20(12-18)21(27)24-13-16-5-2-3-8-19(16)22/h2-12H,13H2,1H3,(H,23,25)(H,24,27)
InChIKeyFWROVZXEQAGTQW-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.61
Rot. Bonds6

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

4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109211673) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109211673
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccnc(C(=O)NCc3ccccc3Cl)c2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)15-6-4-7-17(11-15)25-18-9-10-23-20(12-18)21(27)24-13-16-5-2-3-8-19(16)22/h2-12H,13H2,1H3,(H,23,25)(H,24,27)
InChIKeyFWROVZXEQAGTQW-UHFFFAOYSA-N
XLogP4.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109119776
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109220139
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328941
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
N-[(2-chlorophenyl)methyl]-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109211690
N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201907

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide (CID 109211673) is 4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide is CC(=O)c1cccc(Nc2ccnc(C(=O)NCc3ccccc3Cl)c2)c1.
What is the InChIKey of 4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is FWROVZXEQAGTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14(26)15-6-4-7-17(11-15)25-18-9-10-23-20(12-18)21(27)24-13-16-5-2-3-8-19(16)22/h2-12H,13H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.61, 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-[(2-chlorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109211673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).