6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid

C16H16N2O3 — CID 62304057

IUPAC6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
SMILESCCC(NC(=O)c1cccc(C(=O)O)n1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-2-12(11-7-4-3-5-8-11)18-15(19)13-9-6-10-14(17-13)16(20)21/h3-10,12H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyDLFCVQBDOWXUAB-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.66
Rot. Bonds5

About 6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid

6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 62304057) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID62304057
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
SMILESCCC(NC(=O)c1cccc(C(=O)O)n1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-2-12(11-7-4-3-5-8-11)18-15(19)13-9-6-10-14(17-13)16(20)21/h3-10,12H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyDLFCVQBDOWXUAB-UHFFFAOYSA-N
XLogP2.66
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128301
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide
CID 99931443
N-[(1R)-1-phenylpropyl]-1,6-naphthyridine-2-carboxamide
CID 16731063
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
CID 119180806
1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
CID 29089973
N-[1-(4-methoxyphenyl)propyl]-6-methylpyridine-2-carboxamide
CID 134001680
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
(2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride
CID 160921286

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid (CID 62304057) is 6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid is CCC(NC(=O)c1cccc(C(=O)O)n1)c1ccccc1.
What is the InChIKey of 6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is DLFCVQBDOWXUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-12(11-7-4-3-5-8-11)18-15(19)13-9-6-10-14(17-13)16(20)21/h3-10,12H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid?
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 62304057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).