4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid

C16H16N2O3 — CID 115730066

IUPAC4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)c2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-10(2)11-3-5-13(6-4-11)18-15(19)12-7-8-17-14(9-12)16(20)21/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXKSFJFYDBNSOED-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.16
Rot. Bonds4

About 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid

4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730066) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID115730066
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)c2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-10(2)11-3-5-13(6-4-11)18-15(19)12-7-8-17-14(9-12)16(20)21/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXKSFJFYDBNSOED-UHFFFAOYSA-N
XLogP3.16
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
2-N-(3,4-dimethylphenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091918
2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109090742
2-N-(2-chlorophenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092468
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092499
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730089
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 115730066) is 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid is CC(C)c1ccc(NC(=O)c2ccnc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XKSFJFYDBNSOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10(2)11-3-5-13(6-4-11)18-15(19)12-7-8-17-14(9-12)16(20)21/h3-10H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid?
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).