N-phenyl-2H-pyran-3-carboxamide

C12H11NO2 — CID 21499737

IUPACN-phenyl-2H-pyran-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=CC=COC1
InChIInChI=1S/C12H11NO2/c14-12(10-5-4-8-15-9-10)13-11-6-2-1-3-7-11/h1-8H,9H2,(H,13,14)
InChIKeyBIVVXDNEVVJOCN-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.10
Rot. Bonds2

About N-phenyl-2H-pyran-3-carboxamide

N-phenyl-2H-pyran-3-carboxamide (PubChem CID 21499737) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is N-phenyl-2H-pyran-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-2H-pyran-3-carboxamide
PubChem CID21499737
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC NameN-phenyl-2H-pyran-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=CC=COC1
InChIInChI=1S/C12H11NO2/c14-12(10-5-4-8-15-9-10)13-11-6-2-1-3-7-11/h1-8H,9H2,(H,13,14)
InChIKeyBIVVXDNEVVJOCN-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-phenyl-2H-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 N-phenyl-2H-pyran-3-carboxamide?
The IUPAC name of N-phenyl-2H-pyran-3-carboxamide (CID 21499737) is N-phenyl-2H-pyran-3-carboxamide.
What is the SMILES notation for N-phenyl-2H-pyran-3-carboxamide?
The canonical SMILES for N-phenyl-2H-pyran-3-carboxamide is O=C(Nc1ccccc1)C1=CC=COC1.
What is the InChIKey of N-phenyl-2H-pyran-3-carboxamide?
The InChIKey is BIVVXDNEVVJOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(10-5-4-8-15-9-10)13-11-6-2-1-3-7-11/h1-8H,9H2,(H,13,14).
What are the key properties of N-phenyl-2H-pyran-3-carboxamide?
N-phenyl-2H-pyran-3-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2H-pyran-3-carboxamide is sourced from PubChem (CID 21499737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).