6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

C22H21N3O2 — CID 109155929

IUPAC6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCc3cccc(C)c3)cn2)c1
InChIInChI=1S/C22H21N3O2/c1-15-5-3-6-17(11-15)13-24-22(27)19-9-10-21(23-14-19)25-20-8-4-7-18(12-20)16(2)26/h3-12,14H,13H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyTZSBODGHEGMSSU-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.27
Rot. Bonds6

About 6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109155929) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109155929
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCc3cccc(C)c3)cn2)c1
InChIInChI=1S/C22H21N3O2/c1-15-5-3-6-17(11-15)13-24-22(27)19-9-10-21(23-14-19)25-20-8-4-7-18(12-20)16(2)26/h3-12,14H,13H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyTZSBODGHEGMSSU-UHFFFAOYSA-N
XLogP4.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156575
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880
6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109162236
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109169805
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858
N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984777
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 55046295
methyl 3-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109232319
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109159951

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (CID 109155929) is 6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is CC(=O)c1cccc(Nc2ccc(C(=O)NCc3cccc(C)c3)cn2)c1.
What is the InChIKey of 6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is TZSBODGHEGMSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-5-3-6-17(11-15)13-24-22(27)19-9-10-21(23-14-19)25-20-8-4-7-18(12-20)16(2)26/h3-12,14H,13H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of 6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109155929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).