8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide

C13H15N3O2 — CID 3079292

IUPAC8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C13H15N3O2/c1-3-5-14-12(17)10-8-15-11-7-9(2)4-6-16(11)13(10)18/h4,6-8H,3,5H2,1-2H3,(H,14,17)
InChIKeyOCTWAVRBRWPDMT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.14
Rot. Bonds3

About 8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide

8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079292) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079292
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C13H15N3O2/c1-3-5-14-12(17)10-8-15-11-7-9(2)4-6-16(11)13(10)18/h4,6-8H,3,5H2,1-2H3,(H,14,17)
InChIKeyOCTWAVRBRWPDMT-UHFFFAOYSA-N
XLogP1.14
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079292) is 8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is CCCNC(=O)c1cnc2cc(C)ccn2c1=O.
What is the InChIKey of 8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OCTWAVRBRWPDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-5-14-12(17)10-8-15-11-7-9(2)4-6-16(11)13(10)18/h4,6-8H,3,5H2,1-2H3,(H,14,17).
What are the key properties of 8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).