4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide

C19H28N6O3S — CID 134247563

IUPAC4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)CC1
InChIInChI=1S/C19H28N6O3S/c20-29(27,28)24-11-9-15(10-12-24)22-19-21-13-14-7-8-17(26)25(18(14)23-19)16-5-3-1-2-4-6-16/h7-8,13,15-16H,1-6,9-12H2,(H2,20,27,28)(H,21,22,23)
InChIKeyPFJVPPHRFDWODX-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.77
Rot. Bonds4

About 4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide

4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide (PubChem CID 134247563) has the molecular formula C19H28N6O3S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide
PubChem CID134247563
Molecular FormulaC19H28N6O3S
Molecular Weight420.54 g/mol
Exact Mass420.19
IUPAC Name4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)CC1
InChIInChI=1S/C19H28N6O3S/c20-29(27,28)24-11-9-15(10-12-24)22-19-21-13-14-7-8-17(26)25(18(14)23-19)16-5-3-1-2-4-6-16/h7-8,13,15-16H,1-6,9-12H2,(H2,20,27,28)(H,21,22,23)
InChIKeyPFJVPPHRFDWODX-UHFFFAOYSA-N
XLogP1.77
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide?
The IUPAC name of 4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide (CID 134247563) is 4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide?
The canonical SMILES for 4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide is NS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)CC1.
What is the InChIKey of 4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide?
The InChIKey is PFJVPPHRFDWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3S/c20-29(27,28)24-11-9-15(10-12-24)22-19-21-13-14-7-8-17(26)25(18(14)23-19)16-5-3-1-2-4-6-16/h7-8,13,15-16H,1-6,9-12H2,(H2,20,27,28)(H,21,22,23).
What are the key properties of 4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide?
4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide has a molecular weight of 420.54 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cycloheptyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide is sourced from PubChem (CID 134247563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).