5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide

C21H18ClN3O2 — CID 109189885

IUPAC5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nc2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)15-6-4-7-17(11-15)25-18-9-10-20(23-13-18)21(27)24-12-16-5-2-3-8-19(16)22/h2-11,13,25H,12H2,1H3,(H,24,27)
InChIKeyMSOUBDMNGRZQKF-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.61
Rot. Bonds6

About 5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide

5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109189885) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109189885
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nc2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)15-6-4-7-17(11-15)25-18-9-10-20(23-13-18)21(27)24-12-16-5-2-3-8-19(16)22/h2-11,13,25H,12H2,1H3,(H,24,27)
InChIKeyMSOUBDMNGRZQKF-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

4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109211673
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109119776
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328941
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109189878
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190233
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190232
N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
CID 109190188
methyl 3-[[6-[(2-chlorophenyl)methylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109119781

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide (CID 109189885) is 5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide is CC(=O)c1cccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nc2)c1.
What is the InChIKey of 5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is MSOUBDMNGRZQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14(26)15-6-4-7-17(11-15)25-18-9-10-20(23-13-18)21(27)24-12-16-5-2-3-8-19(16)22/h2-11,13,25H,12H2,1H3,(H,24,27).
What are the key properties of 5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide?
5-(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 5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109189885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).