N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide

C16H14N2O — CID 10955971

IUPACN-methyl-N,3-diphenyl-2H-azirine-2-carboxamide
SMILESCN(C(=O)C1N=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-18(13-10-6-3-7-11-13)16(19)15-14(17-15)12-8-4-2-5-9-12/h2-11,15H,1H3
InChIKeyWGSOKVVRAGXYOM-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.52
Rot. Bonds3

About N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide

N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide (PubChem CID 10955971) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N,3-diphenyl-2H-azirine-2-carboxamide
PubChem CID10955971
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-methyl-N,3-diphenyl-2H-azirine-2-carboxamide
SMILESCN(C(=O)C1N=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-18(13-10-6-3-7-11-13)16(19)15-14(17-15)12-8-4-2-5-9-12/h2-11,15H,1H3
InChIKeyWGSOKVVRAGXYOM-UHFFFAOYSA-N
XLogP2.52
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N,3-diphenyl-2H-azirine-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-methyl-N,3-diphenyl-2H-azirine-2-carboxamide?
The IUPAC name of N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide (CID 10955971) is N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide.
What is the SMILES notation for N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide?
The canonical SMILES for N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide is CN(C(=O)C1N=C1c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide?
The InChIKey is WGSOKVVRAGXYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-18(13-10-6-3-7-11-13)16(19)15-14(17-15)12-8-4-2-5-9-12/h2-11,15H,1H3.
What are the key properties of N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide?
N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,3-diphenyl-2H-azirine-2-carboxamide is sourced from PubChem (CID 10955971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).