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

C12H13N3O3 — CID 24627023

IUPACN-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H13N3O3/c1-18-7-5-13-11(16)9-8-14-10-4-2-3-6-15(10)12(9)17/h2-4,6,8H,5,7H2,1H3,(H,13,16)
InChIKeyWAYOQPXTJFAJQI-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.07
Rot. Bonds4

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

N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 24627023) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID24627023
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H13N3O3/c1-18-7-5-13-11(16)9-8-14-10-4-2-3-6-15(10)12(9)17/h2-4,6,8H,5,7H2,1H3,(H,13,16)
InChIKeyWAYOQPXTJFAJQI-UHFFFAOYSA-N
XLogP0.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.07
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)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 24627023) is N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COCCNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WAYOQPXTJFAJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-18-7-5-13-11(16)9-8-14-10-4-2-3-6-15(10)12(9)17/h2-4,6,8H,5,7H2,1H3,(H,13,16).
What are the key properties of N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24627023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).