N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide

C12H14N2O3 — CID 3060083

IUPACN-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccccn2)C(=O)O1
InChIInChI=1S/C12H14N2O3/c1-12(2)7-9(11(16)17-12)14-10(15)8-5-3-4-6-13-8/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKeyNBRPJIVBLOVBDB-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.91
Rot. Bonds2

About N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide

N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide (PubChem CID 3060083) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide
PubChem CID3060083
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccccn2)C(=O)O1
InChIInChI=1S/C12H14N2O3/c1-12(2)7-9(11(16)17-12)14-10(15)8-5-3-4-6-13-8/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKeyNBRPJIVBLOVBDB-UHFFFAOYSA-N
XLogP0.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide (CID 3060083) is N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide is CC1(C)CC(NC(=O)c2ccccn2)C(=O)O1.
What is the InChIKey of N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide?
The InChIKey is NBRPJIVBLOVBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(2)7-9(11(16)17-12)14-10(15)8-5-3-4-6-13-8/h3-6,9H,7H2,1-2H3,(H,14,15).
What are the key properties of N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide?
N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 3060083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).