5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide

C14H10BrN3O3 — CID 7217030

IUPAC5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H10BrN3O3/c1-8-12(17-13(19)9-5-6-10(15)21-9)14(20)18-7-3-2-4-11(18)16-8/h2-7H,1H3,(H,17,19)
InChIKeyDBSDHPMGLUFQJV-UHFFFAOYSA-N
MW348.16 g/mol
LogP2.61
Rot. Bonds2

About 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide

5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide (PubChem CID 7217030) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
PubChem CID7217030
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC Name5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H10BrN3O3/c1-8-12(17-13(19)9-5-6-10(15)21-9)14(20)18-7-3-2-4-11(18)16-8/h2-7H,1H3,(H,17,19)
InChIKeyDBSDHPMGLUFQJV-UHFFFAOYSA-N
XLogP2.61
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-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 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide (CID 7217030) is 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide is Cc1nc2ccccn2c(=O)c1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The InChIKey is DBSDHPMGLUFQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c1-8-12(17-13(19)9-5-6-10(15)21-9)14(20)18-7-3-2-4-11(18)16-8/h2-7H,1H3,(H,17,19).
What are the key properties of 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide has a molecular weight of 348.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 7217030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).