6-methyl-2-oxo-N-phenylchromene-3-carboxamide

C17H13NO3 — CID 10423722

IUPAC6-methyl-2-oxo-N-phenylchromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C17H13NO3/c1-11-7-8-15-12(9-11)10-14(17(20)21-15)16(19)18-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19)
InChIKeyJUQDUATUBQVGDN-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.35
Rot. Bonds2

About 6-methyl-2-oxo-N-phenylchromene-3-carboxamide

6-methyl-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 10423722) has the molecular formula C17H13NO3 and a molecular weight of 279.29 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID10423722
Molecular FormulaC17H13NO3
Molecular Weight279.29 g/mol
Exact Mass279.09
IUPAC Name6-methyl-2-oxo-N-phenylchromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C17H13NO3/c1-11-7-8-15-12(9-11)10-14(17(20)21-15)16(19)18-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19)
InChIKeyJUQDUATUBQVGDN-UHFFFAOYSA-N
XLogP3.35
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-phenylchromene-3-carboxamide (CID 10423722) is 6-methyl-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-phenylchromene-3-carboxamide is Cc1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 6-methyl-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is JUQDUATUBQVGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-7-8-15-12(9-11)10-14(17(20)21-15)16(19)18-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19).
What are the key properties of 6-methyl-2-oxo-N-phenylchromene-3-carboxamide?
6-methyl-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 10423722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).