8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

C17H14N2O4 — CID 753170

IUPAC8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3ccccn3)c(=O)oc12
InChIInChI=1S/C17H14N2O4/c1-22-14-7-4-5-11-9-13(17(21)23-15(11)14)16(20)19-10-12-6-2-3-8-18-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyWJLUQCLZFZFMJY-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.13
Rot. Bonds4

About 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (PubChem CID 753170) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
PubChem CID753170
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3ccccn3)c(=O)oc12
InChIInChI=1S/C17H14N2O4/c1-22-14-7-4-5-11-9-13(17(21)23-15(11)14)16(20)19-10-12-6-2-3-8-18-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyWJLUQCLZFZFMJY-UHFFFAOYSA-N
XLogP2.13
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-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 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (CID 753170) is 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is COc1cccc2cc(C(=O)NCc3ccccn3)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is WJLUQCLZFZFMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-14-7-4-5-11-9-13(17(21)23-15(11)14)16(20)19-10-12-6-2-3-8-18-12/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 753170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).