2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C18H18N4O5S — CID 135458504

IUPAC2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(O)nc12
InChIInChI=1S/C18H18N4O5S/c1-11-3-2-10-22-15(11)21-17(24)14(18(22)25)16(23)20-9-8-12-4-6-13(7-5-12)28(19,26)27/h2-7,10,24H,8-9H2,1H3,(H,20,23)(H2,19,26,27)
InChIKeyQJMFDCIZUKYHDK-UHFFFAOYSA-N
MW402.43 g/mol
LogP0.33
Rot. Bonds5

About 2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458504) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458504
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Name2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(O)nc12
InChIInChI=1S/C18H18N4O5S/c1-11-3-2-10-22-15(11)21-17(24)14(18(22)25)16(23)20-9-8-12-4-6-13(7-5-12)28(19,26)27/h2-7,10,24H,8-9H2,1H3,(H,20,23)(H2,19,26,27)
InChIKeyQJMFDCIZUKYHDK-UHFFFAOYSA-N
XLogP0.33
TPSA143.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458504) is 2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(O)nc12.
What is the InChIKey of 2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is QJMFDCIZUKYHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-11-3-2-10-22-15(11)21-17(24)14(18(22)25)16(23)20-9-8-12-4-6-13(7-5-12)28(19,26)27/h2-7,10,24H,8-9H2,1H3,(H,20,23)(H2,19,26,27).
What are the key properties of 2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-9-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).