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

C18H18N4O4S — CID 16614995

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C18H18N4O4S/c1-19-27(25,26)12-14-7-5-13(6-8-14)10-21-17(23)15-11-20-16-4-2-3-9-22(16)18(15)24/h2-9,11,19H,10,12H2,1H3,(H,21,23)
InChIKeyKASJCKUTMTZPRH-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.67
Rot. Bonds6

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

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16614995) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16614995
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C18H18N4O4S/c1-19-27(25,26)12-14-7-5-13(6-8-14)10-21-17(23)15-11-20-16-4-2-3-9-22(16)18(15)24/h2-9,11,19H,10,12H2,1H3,(H,21,23)
InChIKeyKASJCKUTMTZPRH-UHFFFAOYSA-N
XLogP0.67
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16614995) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KASJCKUTMTZPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-19-27(25,26)12-14-7-5-13(6-8-14)10-21-17(23)15-11-20-16-4-2-3-9-22(16)18(15)24/h2-9,11,19H,10,12H2,1H3,(H,21,23).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16614995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).