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

C22H22N4O2 — CID 109170025

IUPACN-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccnc(NCc3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N4O2/c1-15-6-8-17(9-7-15)14-24-21-12-18(10-11-23-21)22(28)26-20-5-3-4-19(13-20)25-16(2)27/h3-13H,14H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyXQMUZKDEXBQYDH-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.21
Rot. Bonds6

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

N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109170025) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
PubChem CID109170025
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccnc(NCc3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N4O2/c1-15-6-8-17(9-7-15)14-24-21-12-18(10-11-23-21)22(28)26-20-5-3-4-19(13-20)25-16(2)27/h3-13H,14H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyXQMUZKDEXBQYDH-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170977
N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170520
2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109170032
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
methyl 3-[[2-[(4-fluorophenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109170694
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294
N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172134
N-(3,4-dichlorophenyl)-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170705
N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171770
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide (CID 109170025) is N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccnc(NCc3ccc(C)cc3)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is XQMUZKDEXBQYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-6-8-17(9-7-15)14-24-21-12-18(10-11-23-21)22(28)26-20-5-3-4-19(13-20)25-16(2)27/h3-13H,14H2,1-2H3,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109170025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).