4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid

C15H14N2O4 — CID 59356747

IUPAC4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid
SMILESC[C@@H](NC(=O)c1cc(=O)cc(C(=O)O)[nH]1)c1ccccc1
InChIInChI=1S/C15H14N2O4/c1-9(10-5-3-2-4-6-10)16-14(19)12-7-11(18)8-13(17-12)15(20)21/h2-9H,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-/m1/s1
InChIKeyCILINRYRQYIWJF-SECBINFHSA-N
MW286.29 g/mol
LogP1.56
Rot. Bonds4

About 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid

4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid (PubChem CID 59356747) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid
PubChem CID59356747
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid
SMILESC[C@@H](NC(=O)c1cc(=O)cc(C(=O)O)[nH]1)c1ccccc1
InChIInChI=1S/C15H14N2O4/c1-9(10-5-3-2-4-6-10)16-14(19)12-7-11(18)8-13(17-12)15(20)21/h2-9H,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-/m1/s1
InChIKeyCILINRYRQYIWJF-SECBINFHSA-N
XLogP1.56
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
CID 59356740
N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 118425243
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 139061373
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
5-chloro-7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide
CID 118425259
5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 123567229
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid (CID 59356747) is 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid is C[C@@H](NC(=O)c1cc(=O)cc(C(=O)O)[nH]1)c1ccccc1.
What is the InChIKey of 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid?
The InChIKey is CILINRYRQYIWJF-SECBINFHSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9(10-5-3-2-4-6-10)16-14(19)12-7-11(18)8-13(17-12)15(20)21/h2-9H,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-/m1/s1.
What are the key properties of 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid?
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 59356747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).