N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

C22H21N3O2 — CID 109155703

IUPACN-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3C)nc2)cc1
InChIInChI=1S/C22H21N3O2/c1-15-5-3-4-6-18(15)13-23-21-12-9-19(14-24-21)22(27)25-20-10-7-17(8-11-20)16(2)26/h3-12,14H,13H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyIHNPJGIJXKWZCO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.46
Rot. Bonds6

About N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109155703) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109155703
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3C)nc2)cc1
InChIInChI=1S/C22H21N3O2/c1-15-5-3-4-6-18(15)13-23-21-12-9-19(14-24-21)22(27)25-20-10-7-17(8-11-20)16(2)26/h3-12,14H,13H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyIHNPJGIJXKWZCO-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155687
N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155684
methyl 4-[[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]amino]benzoate
CID 109255774
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109156789
N-(4-acetylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327430
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
N-[4-(dimethylamino)phenyl]-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157116
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
ethyl 4-[[6-(benzylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155551
5-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280053

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109155703) is N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(NCc3ccccc3C)nc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is IHNPJGIJXKWZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-5-3-4-6-18(15)13-23-21-12-9-19(14-24-21)22(27)25-20-10-7-17(8-11-20)16(2)26/h3-12,14H,13H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109155703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).