N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C13H15N3O3 — CID 46364457

IUPACN-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1cnc2c(C)cccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-9-4-3-6-16-11(9)15-8-10(13(16)18)12(17)14-5-7-19-2/h3-4,6,8H,5,7H2,1-2H3,(H,14,17)
InChIKeyXZPKLKLYIFXYAR-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.38
Rot. Bonds4

About N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46364457) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46364457
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1cnc2c(C)cccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-9-4-3-6-16-11(9)15-8-10(13(16)18)12(17)14-5-7-19-2/h3-4,6,8H,5,7H2,1-2H3,(H,14,17)
InChIKeyXZPKLKLYIFXYAR-UHFFFAOYSA-N
XLogP0.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 46364457) is N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COCCNC(=O)c1cnc2c(C)cccn2c1=O.
What is the InChIKey of N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XZPKLKLYIFXYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-4-3-6-16-11(9)15-8-10(13(16)18)12(17)14-5-7-19-2/h3-4,6,8H,5,7H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46364457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).