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

C16H11BrN2O3 — CID 1244356

IUPAC6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C16H11BrN2O3/c17-11-4-5-14-10(7-11)8-13(16(21)22-14)15(20)19-9-12-3-1-2-6-18-12/h1-8H,9H2,(H,19,20)
InChIKeyUPJYHBRIWSAPPQ-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.88
Rot. Bonds3

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

6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (PubChem CID 1244356) has the molecular formula C16H11BrN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
PubChem CID1244356
Molecular FormulaC16H11BrN2O3
Molecular Weight359.18 g/mol
Exact Mass358.00
IUPAC Name6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C16H11BrN2O3/c17-11-4-5-14-10(7-11)8-13(16(21)22-14)15(20)19-9-12-3-1-2-6-18-12/h1-8H,9H2,(H,19,20)
InChIKeyUPJYHBRIWSAPPQ-UHFFFAOYSA-N
XLogP2.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-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 6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (CID 1244356) is 6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is O=C(NCc1ccccn1)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is UPJYHBRIWSAPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3/c17-11-4-5-14-10(7-11)8-13(16(21)22-14)15(20)19-9-12-3-1-2-6-18-12/h1-8H,9H2,(H,19,20).
What are the key properties of 6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 359.18 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 1244356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).