4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide

C18H21N3O2 — CID 109216893

IUPAC4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccnc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(22)13-5-7-14(8-6-13)20-15-9-10-19-16(11-15)17(23)21-18(2,3)4/h5-11H,1-4H3,(H,19,20)(H,21,23)
InChIKeyULBHZKNZCLHFBM-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.56
Rot. Bonds4

About 4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide

4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide (PubChem CID 109216893) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide
PubChem CID109216893
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccnc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(22)13-5-7-14(8-6-13)20-15-9-10-19-16(11-15)17(23)21-18(2,3)4/h5-11H,1-4H3,(H,19,20)(H,21,23)
InChIKeyULBHZKNZCLHFBM-UHFFFAOYSA-N
XLogP3.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
4-(4-acetylanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201823
N-tert-butyl-4-hydrazinylpyridine-2-carboxamide
CID 62238108
N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109216858
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216912
N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219035
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid
CID 43517798
4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089304
4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212220
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide (CID 109216893) is 4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide is CC(=O)c1ccc(Nc2ccnc(C(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of 4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide?
The InChIKey is ULBHZKNZCLHFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(22)13-5-7-14(8-6-13)20-15-9-10-19-16(11-15)17(23)21-18(2,3)4/h5-11H,1-4H3,(H,19,20)(H,21,23).
What are the key properties of 4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide?
4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide is sourced from PubChem (CID 109216893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).