6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide

C12H10N2O3 — CID 662830

IUPAC6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(=O)oc1
InChIInChI=1S/C12H10N2O3/c15-11-4-3-10(8-17-11)12(16)14-7-9-2-1-5-13-6-9/h1-6,8H,7H2,(H,14,16)
InChIKeyXZQJPPXATWKWLS-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.96
Rot. Bonds3

About 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide

6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide (PubChem CID 662830) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide
PubChem CID662830
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(=O)oc1
InChIInChI=1S/C12H10N2O3/c15-11-4-3-10(8-17-11)12(16)14-7-9-2-1-5-13-6-9/h1-6,8H,7H2,(H,14,16)
InChIKeyXZQJPPXATWKWLS-UHFFFAOYSA-N
XLogP0.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-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 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide (CID 662830) is 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide is O=C(NCc1cccnc1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide?
The InChIKey is XZQJPPXATWKWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-11-4-3-10(8-17-11)12(16)14-7-9-2-1-5-13-6-9/h1-6,8H,7H2,(H,14,16).
What are the key properties of 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide?
6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide has a molecular weight of 230.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide is sourced from PubChem (CID 662830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).