4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide

C19H28N6O3S — CID 134247567

IUPAC4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(Nc2ncc3cc(C)c(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C19H28N6O3S/c1-13-11-14-12-21-19(22-15-7-9-24(10-8-15)29(27,28)20-2)23-17(14)25(18(13)26)16-5-3-4-6-16/h11-12,15-16,20H,3-10H2,1-2H3,(H,21,22,23)
InChIKeyYNZJEXZWSZMQGW-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.56
Rot. Bonds5

About 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide

4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide (PubChem CID 134247567) has the molecular formula C19H28N6O3S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide
PubChem CID134247567
Molecular FormulaC19H28N6O3S
Molecular Weight420.54 g/mol
Exact Mass420.19
IUPAC Name4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(Nc2ncc3cc(C)c(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C19H28N6O3S/c1-13-11-14-12-21-19(22-15-7-9-24(10-8-15)29(27,28)20-2)23-17(14)25(18(13)26)16-5-3-4-6-16/h11-12,15-16,20H,3-10H2,1-2H3,(H,21,22,23)
InChIKeyYNZJEXZWSZMQGW-UHFFFAOYSA-N
XLogP1.56
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide?
The IUPAC name of 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide (CID 134247567) is 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide is CNS(=O)(=O)N1CCC(Nc2ncc3cc(C)c(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide?
The InChIKey is YNZJEXZWSZMQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3S/c1-13-11-14-12-21-19(22-15-7-9-24(10-8-15)29(27,28)20-2)23-17(14)25(18(13)26)16-5-3-4-6-16/h11-12,15-16,20H,3-10H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide?
4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide has a molecular weight of 420.54 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 134247567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).