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

C21H18ClN3O2 — CID 109170767

IUPAC2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)15-6-4-7-18(11-15)25-20-12-16(9-10-23-20)21(27)24-13-17-5-2-3-8-19(17)22/h2-12H,13H2,1H3,(H,23,25)(H,24,27)
InChIKeyBBQSZWHEIOOCFY-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.61
Rot. Bonds6

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

2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 109170767) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
PubChem CID109170767
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)15-6-4-7-18(11-15)25-20-12-16(9-10-23-20)21(27)24-13-17-5-2-3-8-19(17)22/h2-12H,13H2,1H3,(H,23,25)(H,24,27)
InChIKeyBBQSZWHEIOOCFY-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

N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880
2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170770
4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109211673
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109170782
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109119776
5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177564
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109170771

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide (CID 109170767) is 2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide is CC(=O)c1cccc(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is BBQSZWHEIOOCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14(26)15-6-4-7-18(11-15)25-20-12-16(9-10-23-20)21(27)24-13-17-5-2-3-8-19(17)22/h2-12H,13H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-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 2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109170767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).