6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide

C13H14N2O3 — CID 47460536

IUPAC6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-2-7-14-12(16)9-5-6-10(15-13(9)17)11-4-3-8-18-11/h3-6,8H,2,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyNIMQTTYBADNSFE-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.77
Rot. Bonds4

About 6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide

6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide (PubChem CID 47460536) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
PubChem CID47460536
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-2-7-14-12(16)9-5-6-10(15-13(9)17)11-4-3-8-18-11/h3-6,8H,2,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyNIMQTTYBADNSFE-UHFFFAOYSA-N
XLogP1.77
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide (CID 47460536) is 6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide is CCCNC(=O)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The InChIKey is NIMQTTYBADNSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-7-14-12(16)9-5-6-10(15-13(9)17)11-4-3-8-18-11/h3-6,8H,2,7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47460536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).