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

C16H12N2O3 — CID 644836

IUPAC2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H12N2O3/c19-15(18-10-12-6-3-4-8-17-12)13-9-11-5-1-2-7-14(11)21-16(13)20/h1-9H,10H2,(H,18,19)
InChIKeyOPOWDKHBUXIGGC-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.12
Rot. Bonds3

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

2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (PubChem CID 644836) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
PubChem CID644836
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H12N2O3/c19-15(18-10-12-6-3-4-8-17-12)13-9-11-5-1-2-7-14(11)21-16(13)20/h1-9H,10H2,(H,18,19)
InChIKeyOPOWDKHBUXIGGC-UHFFFAOYSA-N
XLogP2.12
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (CID 644836) is 2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is O=C(NCc1ccccn1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is OPOWDKHBUXIGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15(18-10-12-6-3-4-8-17-12)13-9-11-5-1-2-7-14(11)21-16(13)20/h1-9H,10H2,(H,18,19).
What are the key properties of 2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 644836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).