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

C14H11N3O3 — CID 7217017

IUPACN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C14H11N3O3/c1-9-12(16-13(18)10-5-4-8-20-10)14(19)17-7-3-2-6-11(17)15-9/h2-8H,1H3,(H,16,18)
InChIKeyKCYHXXSXWDJZPY-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.85
Rot. Bonds2

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

N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide (PubChem CID 7217017) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
PubChem CID7217017
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C14H11N3O3/c1-9-12(16-13(18)10-5-4-8-20-10)14(19)17-7-3-2-6-11(17)15-9/h2-8H,1H3,(H,16,18)
InChIKeyKCYHXXSXWDJZPY-UHFFFAOYSA-N
XLogP1.85
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide (CID 7217017) is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide is Cc1nc2ccccn2c(=O)c1NC(=O)c1ccco1.
What is the InChIKey of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
The InChIKey is KCYHXXSXWDJZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9-12(16-13(18)10-5-4-8-20-10)14(19)17-7-3-2-6-11(17)15-9/h2-8H,1H3,(H,16,18).
What are the key properties of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide?
N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 7217017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).