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

C12H13N3O3 — CID 135681028

IUPAC2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H13N3O3/c1-2-6-13-10(16)9-11(17)14-8-5-3-4-7-15(8)12(9)18/h3-5,7,17H,2,6H2,1H3,(H,13,16)
InChIKeyQPDWVLFBLSGQRB-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.54
Rot. Bonds3

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

2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681028) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681028
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H13N3O3/c1-2-6-13-10(16)9-11(17)14-8-5-3-4-7-15(8)12(9)18/h3-5,7,17H,2,6H2,1H3,(H,13,16)
InChIKeyQPDWVLFBLSGQRB-UHFFFAOYSA-N
XLogP0.54
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681028) is 2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is CCCNC(=O)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is QPDWVLFBLSGQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-6-13-10(16)9-11(17)14-8-5-3-4-7-15(8)12(9)18/h3-5,7,17H,2,6H2,1H3,(H,13,16).
What are the key properties of 2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).