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

C12H11N3O3 — CID 135681033

IUPAC2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESC=CCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H11N3O3/c1-2-6-13-10(16)9-11(17)14-8-5-3-4-7-15(8)12(9)18/h2-5,7,17H,1,6H2,(H,13,16)
InChIKeyWSYBELHHIAJILR-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.32
Rot. Bonds3

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

2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681033) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681033
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESC=CCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H11N3O3/c1-2-6-13-10(16)9-11(17)14-8-5-3-4-7-15(8)12(9)18/h2-5,7,17H,1,6H2,(H,13,16)
InChIKeyWSYBELHHIAJILR-UHFFFAOYSA-N
XLogP0.32
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681033) is 2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide is C=CCNC(=O)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WSYBELHHIAJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-2-6-13-10(16)9-11(17)14-8-5-3-4-7-15(8)12(9)18/h2-5,7,17H,1,6H2,(H,13,16).
What are the key properties of 2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.32, 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-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).