2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C12H13N3O4 — CID 135681035

IUPAC2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H13N3O4/c1-19-7-5-13-10(16)9-11(17)14-8-4-2-3-6-15(8)12(9)18/h2-4,6,17H,5,7H2,1H3,(H,13,16)
InChIKeyUNARMEBDYKMTQA-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.22
Rot. Bonds4

About 2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681035) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681035
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H13N3O4/c1-19-7-5-13-10(16)9-11(17)14-8-4-2-3-6-15(8)12(9)18/h2-4,6,17H,5,7H2,1H3,(H,13,16)
InChIKeyUNARMEBDYKMTQA-UHFFFAOYSA-N
XLogP-0.22
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681035) is 2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COCCNC(=O)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UNARMEBDYKMTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-19-7-5-13-10(16)9-11(17)14-8-4-2-3-6-15(8)12(9)18/h2-4,6,17H,5,7H2,1H3,(H,13,16).
What are the key properties of 2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 263.25 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).