N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide

C16H12N2O3 — CID 3028035

IUPACN-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide
SMILESCC(=O)Nc1ccc2oc(=O)c(-c3ccncc3)cc2c1
InChIInChI=1S/C16H12N2O3/c1-10(19)18-13-2-3-15-12(8-13)9-14(16(20)21-15)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,19)
InChIKeyIHLHHLOOJXUWMT-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.81
Rot. Bonds2

About N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide

N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide (PubChem CID 3028035) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide
PubChem CID3028035
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide
SMILESCC(=O)Nc1ccc2oc(=O)c(-c3ccncc3)cc2c1
InChIInChI=1S/C16H12N2O3/c1-10(19)18-13-2-3-15-12(8-13)9-14(16(20)21-15)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,19)
InChIKeyIHLHHLOOJXUWMT-UHFFFAOYSA-N
XLogP2.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide 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-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide?
The IUPAC name of N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide (CID 3028035) is N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide.
What is the SMILES notation for N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide?
The canonical SMILES for N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide is CC(=O)Nc1ccc2oc(=O)c(-c3ccncc3)cc2c1.
What is the InChIKey of N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide?
The InChIKey is IHLHHLOOJXUWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10(19)18-13-2-3-15-12(8-13)9-14(16(20)21-15)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,19).
What are the key properties of N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide?
N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide has a molecular weight of 280.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3-pyridin-4-ylchromen-6-yl)acetamide is sourced from PubChem (CID 3028035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).