5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide

C17H18N6O3S — CID 66959673

IUPAC5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1
InChIInChI=1S/C17H18N6O3S/c1-18-27(25,26)14-6-3-10(8-19-14)12-7-13-15(17(24)23(2)9-20-13)16(22-12)21-11-4-5-11/h3,6-9,11,18H,4-5H2,1-2H3,(H,21,22)
InChIKeyAIJBTESRWVUCDU-UHFFFAOYSA-N
MW386.44 g/mol
LogP0.87
Rot. Bonds5

About 5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide

5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide (PubChem CID 66959673) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide
PubChem CID66959673
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1
InChIInChI=1S/C17H18N6O3S/c1-18-27(25,26)14-6-3-10(8-19-14)12-7-13-15(17(24)23(2)9-20-13)16(22-12)21-11-4-5-11/h3,6-9,11,18H,4-5H2,1-2H3,(H,21,22)
InChIKeyAIJBTESRWVUCDU-UHFFFAOYSA-N
XLogP0.87
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide?
The IUPAC name of 5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide (CID 66959673) is 5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for 5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide?
The canonical SMILES for 5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide is CNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1.
What is the InChIKey of 5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide?
The InChIKey is AIJBTESRWVUCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-18-27(25,26)14-6-3-10(8-19-14)12-7-13-15(17(24)23(2)9-20-13)16(22-12)21-11-4-5-11/h3,6-9,11,18H,4-5H2,1-2H3,(H,21,22).
What are the key properties of 5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide?
5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide has a molecular weight of 386.44 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 66959673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).