4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid

C16H16N2O3 — CID 53270695

IUPAC4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)c2ccncc2C(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c1-10(2)11-3-5-12(6-4-11)18-15(19)13-7-8-17-9-14(13)16(20)21/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyYSUDYNGFCMVJCP-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.16
Rot. Bonds4

About 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid

4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 53270695) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID53270695
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)c2ccncc2C(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c1-10(2)11-3-5-12(6-4-11)18-15(19)13-7-8-17-9-14(13)16(20)21/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyYSUDYNGFCMVJCP-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 ≤ 500284.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270765
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
2,3-dimethyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858169
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 64950472
N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 22249256
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19496540
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
3-benzoyl-N-phenylpyridine-4-carboxamide
CID 14761571
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82787554
4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270772

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 53270695) is 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid is CC(C)c1ccc(NC(=O)c2ccncc2C(=O)O)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is YSUDYNGFCMVJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10(2)11-3-5-12(6-4-11)18-15(19)13-7-8-17-9-14(13)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-3-carboxylic acid?
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 284.31 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-3-carboxylic acid is sourced from PubChem (CID 53270695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).