N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide

C24H25N3O2 — CID 109220583

IUPACN-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(Nc3ccc(C(C)(C)C)cc3)ccn2)c1
InChIInChI=1S/C24H25N3O2/c1-16(28)17-6-5-7-20(14-17)27-23(29)22-15-21(12-13-25-22)26-19-10-8-18(9-11-19)24(2,3)4/h5-15H,1-4H3,(H,25,26)(H,27,29)
InChIKeyZCBSRWAUASDBLZ-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.58
Rot. Bonds5

About N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide

N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide (PubChem CID 109220583) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
PubChem CID109220583
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(Nc3ccc(C(C)(C)C)cc3)ccn2)c1
InChIInChI=1S/C24H25N3O2/c1-16(28)17-6-5-7-20(14-17)27-23(29)22-15-21(12-13-25-22)26-19-10-8-18(9-11-19)24(2,3)4/h5-15H,1-4H3,(H,25,26)(H,27,29)
InChIKeyZCBSRWAUASDBLZ-UHFFFAOYSA-N
XLogP5.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
4-(3-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222149
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109220139
N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
CID 109202795
4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221907
4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109221343
N-(3-acetylphenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220385

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide (CID 109220583) is N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(Nc3ccc(C(C)(C)C)cc3)ccn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide?
The InChIKey is ZCBSRWAUASDBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16(28)17-6-5-7-20(14-17)27-23(29)22-15-21(12-13-25-22)26-19-10-8-18(9-11-19)24(2,3)4/h5-15H,1-4H3,(H,25,26)(H,27,29).
What are the key properties of N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide?
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109220583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).