6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H19N3O2 — CID 3079282

IUPAC6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C15H19N3O2/c1-5-15(3,4)17-13(19)11-9-16-12-8-6-7-10(2)18(12)14(11)20/h6-9H,5H2,1-4H3,(H,17,19)
InChIKeyAYONPVPWWQITHN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds3

About 6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079282) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079282
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C15H19N3O2/c1-5-15(3,4)17-13(19)11-9-16-12-8-6-7-10(2)18(12)14(11)20/h6-9H,5H2,1-4H3,(H,17,19)
InChIKeyAYONPVPWWQITHN-UHFFFAOYSA-N
XLogP1.92
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079282) is 6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(C)(C)NC(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of 6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is AYONPVPWWQITHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-15(3,4)17-13(19)11-9-16-12-8-6-7-10(2)18(12)14(11)20/h6-9H,5H2,1-4H3,(H,17,19).
What are the key properties of 6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).