N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide

C23H24N4O2 — CID 109220437

IUPACN-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(Nc3ccccc3C(C)C)ccn2)cc1
InChIInChI=1S/C23H24N4O2/c1-15(2)20-6-4-5-7-21(20)26-19-12-13-24-22(14-19)23(29)27-18-10-8-17(9-11-18)25-16(3)28/h4-15H,1-3H3,(H,24,26)(H,25,28)(H,27,29)
InChIKeyDPCFSKKRCYPJHK-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.16
Rot. Bonds6

About N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide

N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109220437) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109220437
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(Nc3ccccc3C(C)C)ccn2)cc1
InChIInChI=1S/C23H24N4O2/c1-15(2)20-6-4-5-7-21(20)26-19-12-13-24-22(14-19)23(29)27-18-10-8-17(9-11-18)25-16(3)28/h4-15H,1-3H3,(H,24,26)(H,25,28)(H,27,29)
InChIKeyDPCFSKKRCYPJHK-UHFFFAOYSA-N
XLogP5.16
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220430
N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316027
4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202178
N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109217303
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198658
N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219035
4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109219027
N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201226
6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128192
N-(4-chlorophenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109221025
N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177061

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide (CID 109220437) is N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(Nc3ccccc3C(C)C)ccn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is DPCFSKKRCYPJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)20-6-4-5-7-21(20)26-19-12-13-24-22(14-19)23(29)27-18-10-8-17(9-11-18)25-16(3)28/h4-15H,1-3H3,(H,24,26)(H,25,28)(H,27,29).
What are the key properties of N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide?
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109220437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).