N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide

C15H13N3O3 — CID 16835744

IUPACN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
SMILESCc1ccc2nc(C)c(NC(=O)c3ccco3)c(=O)n2c1
InChIInChI=1S/C15H13N3O3/c1-9-5-6-12-16-10(2)13(15(20)18(12)8-9)17-14(19)11-4-3-7-21-11/h3-8H,1-2H3,(H,17,19)
InChIKeyGFISHPDFGIXVSL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.16
Rot. Bonds2

About N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide

N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide (PubChem CID 16835744) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
PubChem CID16835744
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
SMILESCc1ccc2nc(C)c(NC(=O)c3ccco3)c(=O)n2c1
InChIInChI=1S/C15H13N3O3/c1-9-5-6-12-16-10(2)13(15(20)18(12)8-9)17-14(19)11-4-3-7-21-11/h3-8H,1-2H3,(H,17,19)
InChIKeyGFISHPDFGIXVSL-UHFFFAOYSA-N
XLogP2.16
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The IUPAC name of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide (CID 16835744) is N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide is Cc1ccc2nc(C)c(NC(=O)c3ccco3)c(=O)n2c1.
What is the InChIKey of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The InChIKey is GFISHPDFGIXVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-5-6-12-16-10(2)13(15(20)18(12)8-9)17-14(19)11-4-3-7-21-11/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 16835744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).