N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H17N3O5S — CID 70747867

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(C(=O)c1cnc2c(O)cccn2c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H17N3O5S/c1-2-17(10-5-7-24(22,23)9-10)14(20)11-8-16-13-12(19)4-3-6-18(13)15(11)21/h3-4,6,8,10,19H,2,5,7,9H2,1H3
InChIKeyMTQRLUGDEYHTNE-UHFFFAOYSA-N
MW351.38 g/mol
LogP0.05
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 70747867) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID70747867
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(C(=O)c1cnc2c(O)cccn2c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H17N3O5S/c1-2-17(10-5-7-24(22,23)9-10)14(20)11-8-16-13-12(19)4-3-6-18(13)15(11)21/h3-4,6,8,10,19H,2,5,7,9H2,1H3
InChIKeyMTQRLUGDEYHTNE-UHFFFAOYSA-N
XLogP0.05
TPSA109.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 70747867) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCN(C(=O)c1cnc2c(O)cccn2c1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MTQRLUGDEYHTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-2-17(10-5-7-24(22,23)9-10)14(20)11-8-16-13-12(19)4-3-6-18(13)15(11)21/h3-4,6,8,10,19H,2,5,7,9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70747867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).