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

C12H13N3O2 — CID 3079290

IUPAC4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H13N3O2/c1-2-6-13-11(16)9-8-14-10-5-3-4-7-15(10)12(9)17/h3-5,7-8H,2,6H2,1H3,(H,13,16)
InChIKeyCWHZPLLXIYSITB-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.83
Rot. Bonds3

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

4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079290) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079290
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H13N3O2/c1-2-6-13-11(16)9-8-14-10-5-3-4-7-15(10)12(9)17/h3-5,7-8H,2,6H2,1H3,(H,13,16)
InChIKeyCWHZPLLXIYSITB-UHFFFAOYSA-N
XLogP0.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079290) is 4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is CCCNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CWHZPLLXIYSITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-6-13-11(16)9-8-14-10-5-3-4-7-15(10)12(9)17/h3-5,7-8H,2,6H2,1H3,(H,13,16).
What are the key properties of 4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).