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

C11H11N3O4 — CID 135681038

IUPAC2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCO)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C11H11N3O4/c15-6-4-12-9(16)8-10(17)13-7-3-1-2-5-14(7)11(8)18/h1-3,5,15,17H,4,6H2,(H,12,16)
InChIKeyJDDVJHHEKJQRKJ-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.88
Rot. Bonds3

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

2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681038) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681038
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCO)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C11H11N3O4/c15-6-4-12-9(16)8-10(17)13-7-3-1-2-5-14(7)11(8)18/h1-3,5,15,17H,4,6H2,(H,12,16)
InChIKeyJDDVJHHEKJQRKJ-UHFFFAOYSA-N
XLogP-0.88
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681038) is 2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCO)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JDDVJHHEKJQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-6-4-12-9(16)8-10(17)13-7-3-1-2-5-14(7)11(8)18/h1-3,5,15,17H,4,6H2,(H,12,16).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 249.23 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).