N-benzyl-6-oxopyran-3-carboxamide

C13H11NO3 — CID 919232

IUPACN-benzyl-6-oxopyran-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(=O)oc1
InChIInChI=1S/C13H11NO3/c15-12-7-6-11(9-17-12)13(16)14-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,14,16)
InChIKeyVDDLJIADKPQDJX-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.57
Rot. Bonds3

About N-benzyl-6-oxopyran-3-carboxamide

N-benzyl-6-oxopyran-3-carboxamide (PubChem CID 919232) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-benzyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-oxopyran-3-carboxamide
PubChem CID919232
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC NameN-benzyl-6-oxopyran-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(=O)oc1
InChIInChI=1S/C13H11NO3/c15-12-7-6-11(9-17-12)13(16)14-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,14,16)
InChIKeyVDDLJIADKPQDJX-UHFFFAOYSA-N
XLogP1.57
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-6-oxopyran-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 N-benzyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-benzyl-6-oxopyran-3-carboxamide (CID 919232) is N-benzyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-benzyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-benzyl-6-oxopyran-3-carboxamide is O=C(NCc1ccccc1)c1ccc(=O)oc1.
What is the InChIKey of N-benzyl-6-oxopyran-3-carboxamide?
The InChIKey is VDDLJIADKPQDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12-7-6-11(9-17-12)13(16)14-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,14,16).
What are the key properties of N-benzyl-6-oxopyran-3-carboxamide?
N-benzyl-6-oxopyran-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 919232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).