4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide

C16H18N4O2 — CID 174728645

IUPAC4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(NC(=O)c2ccc(N)cc2)ccn1
InChIInChI=1S/C16H18N4O2/c1-10(2)19-16(22)14-9-13(7-8-18-14)20-15(21)11-3-5-12(17)6-4-11/h3-10H,17H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyQMPFMWLZPOXLDA-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.05
Rot. Bonds4

About 4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide

4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 174728645) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID174728645
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(NC(=O)c2ccc(N)cc2)ccn1
InChIInChI=1S/C16H18N4O2/c1-10(2)19-16(22)14-9-13(7-8-18-14)20-15(21)11-3-5-12(17)6-4-11/h3-10H,17H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyQMPFMWLZPOXLDA-UHFFFAOYSA-N
XLogP2.05
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078108
2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078190
methyl 3-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109201433
N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201582
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
2-N-propan-2-yl-4-N-(2-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109078339

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide (CID 174728645) is 4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cc(NC(=O)c2ccc(N)cc2)ccn1.
What is the InChIKey of 4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is QMPFMWLZPOXLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10(2)19-16(22)14-9-13(7-8-18-14)20-15(21)11-3-5-12(17)6-4-11/h3-10H,17H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of 4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide?
4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 174728645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).