2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C12H13N3O4 — CID 135680994

IUPAC2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCCO)c(O)nc2c1
InChIInChI=1S/C12H13N3O4/c1-7-2-4-15-8(6-7)14-11(18)9(12(15)19)10(17)13-3-5-16/h2,4,6,16,18H,3,5H2,1H3,(H,13,17)
InChIKeyBIFDYQHLDQWEDS-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.57
Rot. Bonds3

About 2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135680994) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135680994
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCCO)c(O)nc2c1
InChIInChI=1S/C12H13N3O4/c1-7-2-4-15-8(6-7)14-11(18)9(12(15)19)10(17)13-3-5-16/h2,4,6,16,18H,3,5H2,1H3,(H,13,17)
InChIKeyBIFDYQHLDQWEDS-UHFFFAOYSA-N
XLogP-0.57
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.57
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)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135680994) is 2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCCO)c(O)nc2c1.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BIFDYQHLDQWEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7-2-4-15-8(6-7)14-11(18)9(12(15)19)10(17)13-3-5-16/h2,4,6,16,18H,3,5H2,1H3,(H,13,17).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 263.25 g/mol, XLogP of -0.57, 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)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135680994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).