(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium

C17H19N4O3S+ — CID 8933332

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium
SMILESCc1ccc2nc(C[NH2+]Cc3ccc(S(N)(=O)=O)cc3)cc(=O)n2c1
InChIInChI=1S/C17H18N4O3S/c1-12-2-7-16-20-14(8-17(22)21(16)11-12)10-19-9-13-3-5-15(6-4-13)25(18,23)24/h2-8,11,19H,9-10H2,1H3,(H2,18,23,24)/p+1
InChIKeyPTGVSSPRZCGTIT-UHFFFAOYSA-O
MW359.43 g/mol
LogP-0.09
Rot. Bonds5

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium (PubChem CID 8933332) has the molecular formula C17H19N4O3S+ and a molecular weight of 359.43 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium
PubChem CID8933332
Molecular FormulaC17H19N4O3S+
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium
SMILESCc1ccc2nc(C[NH2+]Cc3ccc(S(N)(=O)=O)cc3)cc(=O)n2c1
InChIInChI=1S/C17H18N4O3S/c1-12-2-7-16-20-14(8-17(22)21(16)11-12)10-19-9-13-3-5-15(6-4-13)25(18,23)24/h2-8,11,19H,9-10H2,1H3,(H2,18,23,24)/p+1
InChIKeyPTGVSSPRZCGTIT-UHFFFAOYSA-O
XLogP-0.09
TPSA111.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium (CID 8933332) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium is Cc1ccc2nc(C[NH2+]Cc3ccc(S(N)(=O)=O)cc3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium?
The InChIKey is PTGVSSPRZCGTIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N4O3S/c1-12-2-7-16-20-14(8-17(22)21(16)11-12)10-19-9-13-3-5-15(6-4-13)25(18,23)24/h2-8,11,19H,9-10H2,1H3,(H2,18,23,24)/p+1.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium has a molecular weight of 359.43 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-sulfamoylphenyl)methyl]azanium is sourced from PubChem (CID 8933332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).