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

C17H16N4O5S — CID 135681058

IUPAC2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2c(O)nc3ccccn3c2=O)cc1
InChIInChI=1S/C17H16N4O5S/c18-27(25,26)12-6-4-11(5-7-12)8-9-19-15(22)14-16(23)20-13-3-1-2-10-21(13)17(14)24/h1-7,10,23H,8-9H2,(H,19,22)(H2,18,25,26)
InChIKeyOHLMQWUAIBJHBZ-UHFFFAOYSA-N
MW388.41 g/mol
LogP0.02
Rot. Bonds5

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

2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681058) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681058
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2c(O)nc3ccccn3c2=O)cc1
InChIInChI=1S/C17H16N4O5S/c18-27(25,26)12-6-4-11(5-7-12)8-9-19-15(22)14-16(23)20-13-3-1-2-10-21(13)17(14)24/h1-7,10,23H,8-9H2,(H,19,22)(H2,18,25,26)
InChIKeyOHLMQWUAIBJHBZ-UHFFFAOYSA-N
XLogP0.02
TPSA143.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681057
N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681052
4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 9362533
formic acid;3-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 163333624
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
3-imidazo[1,5-a]pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110675048
10-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 2158450
N-(2-chlorophenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137278968
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52563431
6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 2353740

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681058) is 2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2c(O)nc3ccccn3c2=O)cc1.
What is the InChIKey of 2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OHLMQWUAIBJHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c18-27(25,26)12-6-4-11(5-7-12)8-9-19-15(22)14-16(23)20-13-3-1-2-10-21(13)17(14)24/h1-7,10,23H,8-9H2,(H,19,22)(H2,18,25,26).
What are the key properties of 2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).