N-(2-aminophenyl)-6-oxopyran-3-carboxamide

C12H10N2O3 — CID 43600019

IUPACN-(2-aminophenyl)-6-oxopyran-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(=O)oc1
InChIInChI=1S/C12H10N2O3/c13-9-3-1-2-4-10(9)14-12(16)8-5-6-11(15)17-7-8/h1-7H,13H2,(H,14,16)
InChIKeyWYKLYTUTLSKECT-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.47
Rot. Bonds2

About N-(2-aminophenyl)-6-oxopyran-3-carboxamide

N-(2-aminophenyl)-6-oxopyran-3-carboxamide (PubChem CID 43600019) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-oxopyran-3-carboxamide
PubChem CID43600019
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC NameN-(2-aminophenyl)-6-oxopyran-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(=O)oc1
InChIInChI=1S/C12H10N2O3/c13-9-3-1-2-4-10(9)14-12(16)8-5-6-11(15)17-7-8/h1-7H,13H2,(H,14,16)
InChIKeyWYKLYTUTLSKECT-UHFFFAOYSA-N
XLogP1.47
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-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

Related Compounds

N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
2-fluoro-6-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 43442892
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
6-oxopyran-3-carbohydrazide
CID 130710971
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
CID 114103160
N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
CID 141088053
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
N-(2-aminophenyl)-1H-pyrazole-4-carboxamide
CID 43600055

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-oxopyran-3-carboxamide (CID 43600019) is N-(2-aminophenyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-oxopyran-3-carboxamide is Nc1ccccc1NC(=O)c1ccc(=O)oc1.
What is the InChIKey of N-(2-aminophenyl)-6-oxopyran-3-carboxamide?
The InChIKey is WYKLYTUTLSKECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-9-3-1-2-4-10(9)14-12(16)8-5-6-11(15)17-7-8/h1-7H,13H2,(H,14,16).
What are the key properties of N-(2-aminophenyl)-6-oxopyran-3-carboxamide?
N-(2-aminophenyl)-6-oxopyran-3-carboxamide has a molecular weight of 230.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 43600019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).