4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

C13H16N2O4 — CID 113263165

IUPAC4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccnc(C(=O)O)c1)C1CCOC1
InChIInChI=1S/C13H16N2O4/c1-8(10-3-5-19-7-10)15-12(16)9-2-4-14-11(6-9)13(17)18/h2,4,6,8,10H,3,5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyKLFRQJZSXAJLQH-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.93
Rot. Bonds4

About 4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 113263165) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID113263165
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccnc(C(=O)O)c1)C1CCOC1
InChIInChI=1S/C13H16N2O4/c1-8(10-3-5-19-7-10)15-12(16)9-2-4-14-11(6-9)13(17)18/h2,4,6,8,10H,3,5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyKLFRQJZSXAJLQH-UHFFFAOYSA-N
XLogP0.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide
CID 115648944
4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113385031
3-hydroxy-4-nitro-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 99774885
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
4-amino-3-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115649252
3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 105387635
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 115730315
6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 115869095

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 113263165) is 4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is CC(NC(=O)c1ccnc(C(=O)O)c1)C1CCOC1.
What is the InChIKey of 4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is KLFRQJZSXAJLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(10-3-5-19-7-10)15-12(16)9-2-4-14-11(6-9)13(17)18/h2,4,6,8,10H,3,5,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid?
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 113263165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).