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

C17H14N2O4 — CID 712609

IUPAC6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)NCc3cccnc3)cc2c1
InChIInChI=1S/C17H14N2O4/c1-22-13-4-5-15-12(7-13)8-14(17(21)23-15)16(20)19-10-11-3-2-6-18-9-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyBQQOIHBDAZKFTO-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.13
Rot. Bonds4

About 6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide

6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide (PubChem CID 712609) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
PubChem CID712609
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)NCc3cccnc3)cc2c1
InChIInChI=1S/C17H14N2O4/c1-22-13-4-5-15-12(7-13)8-14(17(21)23-15)16(20)19-10-11-3-2-6-18-9-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyBQQOIHBDAZKFTO-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 6-methoxy-2-oxo-N-(pyridin-3-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 6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide (CID 712609) is 6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)NCc3cccnc3)cc2c1.
What is the InChIKey of 6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
The InChIKey is BQQOIHBDAZKFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-13-4-5-15-12(7-13)8-14(17(21)23-15)16(20)19-10-11-3-2-6-18-9-11/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
6-methoxy-2-oxo-N-(pyridin-3-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 6-methoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 712609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).