5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

C22H22N4O2 — CID 109232047

IUPAC5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cncc(C(=O)NCc3ccccc3C)c2)c1
InChIInChI=1S/C22H22N4O2/c1-15-6-3-4-7-17(15)13-24-22(28)18-10-21(14-23-12-18)26-20-9-5-8-19(11-20)25-16(2)27/h3-12,14,26H,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyJLMXYRIKCPEFON-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.02
Rot. Bonds6

About 5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109232047) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109232047
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cncc(C(=O)NCc3ccccc3C)c2)c1
InChIInChI=1S/C22H22N4O2/c1-15-6-3-4-7-17(15)13-24-22(28)18-10-21(14-23-12-18)26-20-9-5-8-19(11-20)25-16(2)27/h3-12,14,26H,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyJLMXYRIKCPEFON-UHFFFAOYSA-N
XLogP4.02
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232074
5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227768
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232079
3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257
4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046836
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232132
6-(3-acetamidoanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368688
2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327539
5-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243693
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (CID 109232047) is 5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is CC(=O)Nc1cccc(Nc2cncc(C(=O)NCc3ccccc3C)c2)c1.
What is the InChIKey of 5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JLMXYRIKCPEFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-6-3-4-7-17(15)13-24-22(28)18-10-21(14-23-12-18)26-20-9-5-8-19(11-20)25-16(2)27/h3-12,14,26H,13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109232047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).