4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide

C18H19N5O3S — CID 66959397

IUPAC4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1
InChIInChI=1S/C18H19N5O3S/c1-19-27(25,26)13-7-3-11(4-8-13)14-9-15-16(18(24)23(2)10-20-15)17(22-14)21-12-5-6-12/h3-4,7-10,12,19H,5-6H2,1-2H3,(H,21,22)
InChIKeyJZBUVSJYCFXDSP-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.48
Rot. Bonds5

About 4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide

4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide (PubChem CID 66959397) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
PubChem CID66959397
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1
InChIInChI=1S/C18H19N5O3S/c1-19-27(25,26)13-7-3-11(4-8-13)14-9-15-16(18(24)23(2)10-20-15)17(22-14)21-12-5-6-12/h3-4,7-10,12,19H,5-6H2,1-2H3,(H,21,22)
InChIKeyJZBUVSJYCFXDSP-UHFFFAOYSA-N
XLogP1.48
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide (CID 66959397) is 4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1.
What is the InChIKey of 4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide?
The InChIKey is JZBUVSJYCFXDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-19-27(25,26)13-7-3-11(4-8-13)14-9-15-16(18(24)23(2)10-20-15)17(22-14)21-12-5-6-12/h3-4,7-10,12,19H,5-6H2,1-2H3,(H,21,22).
What are the key properties of 4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide?
4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 66959397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).