N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O4S — CID 74237343

IUPACN-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C14H17N3O4S/c1-3-22(20,21)8-7-15-13(18)11-9-16-12-6-4-5-10(2)17(12)14(11)19/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyJZJOQMIUXUOBHU-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.17
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 74237343) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID74237343
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C14H17N3O4S/c1-3-22(20,21)8-7-15-13(18)11-9-16-12-6-4-5-10(2)17(12)14(11)19/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyJZJOQMIUXUOBHU-UHFFFAOYSA-N
XLogP0.17
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 74237343) is N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCS(=O)(=O)CCNC(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JZJOQMIUXUOBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-3-22(20,21)8-7-15-13(18)11-9-16-12-6-4-5-10(2)17(12)14(11)19/h4-6,9H,3,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 74237343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).