5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide

C22H26F2N4OS — CID 176693893

IUPAC5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCSc1cc(NC(=O)c2cc(C3CCC3)c(C)nc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C22H26F2N4OS/c1-14-17(15-4-3-5-15)13-18(20(26-14)28-10-7-22(23,24)8-11-28)21(29)27-16-6-9-25-19(12-16)30-2/h6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3,(H,25,27,29)
InChIKeyRKSYTCGHGRRSOE-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.26
Rot. Bonds5

About 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide

5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 176693893) has the molecular formula C22H26F2N4OS and a molecular weight of 432.54 g/mol. Its IUPAC name is 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID176693893
Molecular FormulaC22H26F2N4OS
Molecular Weight432.54 g/mol
Exact Mass432.18
IUPAC Name5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCSc1cc(NC(=O)c2cc(C3CCC3)c(C)nc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C22H26F2N4OS/c1-14-17(15-4-3-5-15)13-18(20(26-14)28-10-7-22(23,24)8-11-28)21(29)27-16-6-9-25-19(12-16)30-2/h6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3,(H,25,27,29)
InChIKeyRKSYTCGHGRRSOE-UHFFFAOYSA-N
XLogP5.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide 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 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide (CID 176693893) is 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide is CSc1cc(NC(=O)c2cc(C3CCC3)c(C)nc2N2CCC(F)(F)CC2)ccn1.
What is the InChIKey of 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is RKSYTCGHGRRSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4OS/c1-14-17(15-4-3-5-15)13-18(20(26-14)28-10-7-22(23,24)8-11-28)21(29)27-16-6-9-25-19(12-16)30-2/h6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3,(H,25,27,29).
What are the key properties of 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide?
5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 176693893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).