6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

C13H12N2O4 — CID 43429242

IUPAC6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)cn1)c1ccco1
InChIInChI=1S/C13H12N2O4/c1-8(11-3-2-6-19-11)15-12(16)10-5-4-9(7-14-10)13(17)18/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyBDVIQOMCDXEAGR-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.86
Rot. Bonds4

About 6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 43429242) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID43429242
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)cn1)c1ccco1
InChIInChI=1S/C13H12N2O4/c1-8(11-3-2-6-19-11)15-12(16)10-5-4-9(7-14-10)13(17)18/h2-8H,1H3,(H,15,16)(H,17,18)
InChIKeyBDVIQOMCDXEAGR-UHFFFAOYSA-N
XLogP1.86
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316387
5-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107238943
6-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 106550906
N-[1-(furan-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378104
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
4-chloro-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 43399481
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
6-[[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 167743576
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 62845141
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673

Frequently Asked Questions

What is the IUPAC name of 6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 43429242) is 6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is CC(NC(=O)c1ccc(C(=O)O)cn1)c1ccco1.
What is the InChIKey of 6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is BDVIQOMCDXEAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8(11-3-2-6-19-11)15-12(16)10-5-4-9(7-14-10)13(17)18/h2-8H,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43429242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).