2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide

C23H30N4OS — CID 56518163

IUPAC2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2cccnc2SC2CCCC2)CC1
InChIInChI=1S/C23H30N4OS/c1-26-13-15-27(16-14-26)21-11-5-2-7-18(21)17-25-22(28)20-10-6-12-24-23(20)29-19-8-3-4-9-19/h2,5-7,10-12,19H,3-4,8-9,13-17H2,1H3,(H,25,28)
InChIKeyMWOOTDXSZFHWAA-UHFFFAOYSA-N
MW410.59 g/mol
LogP3.80
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 56518163) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID56518163
Molecular FormulaC23H30N4OS
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2cccnc2SC2CCCC2)CC1
InChIInChI=1S/C23H30N4OS/c1-26-13-15-27(16-14-26)21-11-5-2-7-18(21)17-25-22(28)20-10-6-12-24-23(20)29-19-8-3-4-9-19/h2,5-7,10-12,19H,3-4,8-9,13-17H2,1H3,(H,25,28)
InChIKeyMWOOTDXSZFHWAA-UHFFFAOYSA-N
XLogP3.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]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 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide (CID 56518163) is 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide is CN1CCN(c2ccccc2CNC(=O)c2cccnc2SC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is MWOOTDXSZFHWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4OS/c1-26-13-15-27(16-14-26)21-11-5-2-7-18(21)17-25-22(28)20-10-6-12-24-23(20)29-19-8-3-4-9-19/h2,5-7,10-12,19H,3-4,8-9,13-17H2,1H3,(H,25,28).
What are the key properties of 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 410.59 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56518163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).