2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide

C14H17N3O2 — CID 3079294

IUPAC2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cnc2cccc(C)n2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-7-15-13(18)8-11-9-16-12-6-4-5-10(2)17(12)14(11)19/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyATHKFLJIBVNZJL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.07
Rot. Bonds4

About 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide

2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide (PubChem CID 3079294) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide
PubChem CID3079294
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cnc2cccc(C)n2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-7-15-13(18)8-11-9-16-12-6-4-5-10(2)17(12)14(11)19/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyATHKFLJIBVNZJL-UHFFFAOYSA-N
XLogP1.07
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide?
The IUPAC name of 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide (CID 3079294) is 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide is CCCNC(=O)Cc1cnc2cccc(C)n2c1=O.
What is the InChIKey of 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide?
The InChIKey is ATHKFLJIBVNZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-7-15-13(18)8-11-9-16-12-6-4-5-10(2)17(12)14(11)19/h4-6,9H,3,7-8H2,1-2H3,(H,15,18).
What are the key properties of 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide?
2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-N-propylacetamide is sourced from PubChem (CID 3079294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).