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

C13H15N3O2 — CID 3079291

IUPAC7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C13H15N3O2/c1-3-6-14-12(17)10-7-15-11-5-4-9(2)8-16(11)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)
InChIKeyNONZVWCWMXFDFQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.14
Rot. Bonds3

About 7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide

7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079291) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079291
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C13H15N3O2/c1-3-6-14-12(17)10-7-15-11-5-4-9(2)8-16(11)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)
InChIKeyNONZVWCWMXFDFQ-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 7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079291) is 7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is CCCNC(=O)c1cnc2ccc(C)cn2c1=O.
What is the InChIKey of 7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NONZVWCWMXFDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-6-14-12(17)10-7-15-11-5-4-9(2)8-16(11)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,14,17).
What are the key properties of 7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
7-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 7-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).