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

C18H26N6O3S — CID 134247634

IUPAC4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C18H26N6O3S/c1-19-28(26,27)23-10-8-14(9-11-23)21-18-20-12-13-6-7-16(25)24(17(13)22-18)15-4-2-3-5-15/h6-7,12,14-15,19H,2-5,8-11H2,1H3,(H,20,21,22)
InChIKeyCGZPQEKNAAVWHA-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.25
Rot. Bonds5

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

4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide (PubChem CID 134247634) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide
PubChem CID134247634
Molecular FormulaC18H26N6O3S
Molecular Weight406.51 g/mol
Exact Mass406.18
IUPAC Name4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C18H26N6O3S/c1-19-28(26,27)23-10-8-14(9-11-23)21-18-20-12-13-6-7-16(25)24(17(13)22-18)15-4-2-3-5-15/h6-7,12,14-15,19H,2-5,8-11H2,1H3,(H,20,21,22)
InChIKeyCGZPQEKNAAVWHA-UHFFFAOYSA-N
XLogP1.25
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide?
The IUPAC name of 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide (CID 134247634) is 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide is CNS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide?
The InChIKey is CGZPQEKNAAVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-19-28(26,27)23-10-8-14(9-11-23)21-18-20-12-13-6-7-16(25)24(17(13)22-18)15-4-2-3-5-15/h6-7,12,14-15,19H,2-5,8-11H2,1H3,(H,20,21,22).
What are the key properties of 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide?
4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide has a molecular weight of 406.51 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 134247634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).