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

C15H19N3O5S — CID 74234390

IUPAC9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CS(=O)(=O)CCNC(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C15H19N3O5S/c1-10(2)9-24(22,23)7-5-16-14(20)11-8-17-13-12(19)4-3-6-18(13)15(11)21/h3-4,6,8,10,19H,5,7,9H2,1-2H3,(H,16,20)
InChIKeyIWFWQFRBRIDULP-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.20
Rot. Bonds6

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

9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 74234390) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID74234390
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CS(=O)(=O)CCNC(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C15H19N3O5S/c1-10(2)9-24(22,23)7-5-16-14(20)11-8-17-13-12(19)4-3-6-18(13)15(11)21/h3-4,6,8,10,19H,5,7,9H2,1-2H3,(H,16,20)
InChIKeyIWFWQFRBRIDULP-UHFFFAOYSA-N
XLogP0.20
TPSA117.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 74234390) is 9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)CS(=O)(=O)CCNC(=O)c1cnc2c(O)cccn2c1=O.
What is the InChIKey of 9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is IWFWQFRBRIDULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-10(2)9-24(22,23)7-5-16-14(20)11-8-17-13-12(19)4-3-6-18(13)15(11)21/h3-4,6,8,10,19H,5,7,9H2,1-2H3,(H,16,20).
What are the key properties of 9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 74234390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).