2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide

C12H16N2O3 — CID 47282701

IUPAC2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc[nH]c1=O)C1CCCO1
InChIInChI=1S/C12H16N2O3/c1-8(10-5-3-7-17-10)14-12(16)9-4-2-6-13-11(9)15/h2,4,6,8,10H,3,5,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyCCOFBGZIPFMCON-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.67
Rot. Bonds3

About 2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide

2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 47282701) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID47282701
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc[nH]c1=O)C1CCCO1
InChIInChI=1S/C12H16N2O3/c1-8(10-5-3-7-17-10)14-12(16)9-4-2-6-13-11(9)15/h2,4,6,8,10H,3,5,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyCCOFBGZIPFMCON-UHFFFAOYSA-N
XLogP0.67
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide (CID 47282701) is 2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc[nH]c1=O)C1CCCO1.
What is the InChIKey of 2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is CCOFBGZIPFMCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(10-5-3-7-17-10)14-12(16)9-4-2-6-13-11(9)15/h2,4,6,8,10H,3,5,7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47282701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).