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

C13H15N3O5 — CID 135853281

IUPACN-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOC(CNC(=O)c1c(O)nc2ccccn2c1=O)OC
InChIInChI=1S/C13H15N3O5/c1-20-9(21-2)7-14-11(17)10-12(18)15-8-5-3-4-6-16(8)13(10)19/h3-6,9,18H,7H2,1-2H3,(H,14,17)
InChIKeyUOAIWWUINHUQNI-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.25
Rot. Bonds5

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

N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135853281) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135853281
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC NameN-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOC(CNC(=O)c1c(O)nc2ccccn2c1=O)OC
InChIInChI=1S/C13H15N3O5/c1-20-9(21-2)7-14-11(17)10-12(18)15-8-5-3-4-6-16(8)13(10)19/h3-6,9,18H,7H2,1-2H3,(H,14,17)
InChIKeyUOAIWWUINHUQNI-UHFFFAOYSA-N
XLogP-0.25
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135853281) is N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COC(CNC(=O)c1c(O)nc2ccccn2c1=O)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UOAIWWUINHUQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-20-9(21-2)7-14-11(17)10-12(18)15-8-5-3-4-6-16(8)13(10)19/h3-6,9,18H,7H2,1-2H3,(H,14,17).
What are the key properties of N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 293.28 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135853281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).