2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

C20H23F2N3OS — CID 24551024

IUPAC2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)c1cccnc1SC(F)F
InChIInChI=1S/C20H23F2N3OS/c21-20(22)27-19-17(9-6-10-23-19)18(26)24-13-15-7-2-3-8-16(15)14-25-11-4-1-5-12-25/h2-3,6-10,20H,1,4-5,11-14H2,(H,24,26)
InChIKeyNIOZSJKQYRWEEE-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.31
Rot. Bonds7

About 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 24551024) has the molecular formula C20H23F2N3OS and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID24551024
Molecular FormulaC20H23F2N3OS
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)c1cccnc1SC(F)F
InChIInChI=1S/C20H23F2N3OS/c21-20(22)27-19-17(9-6-10-23-19)18(26)24-13-15-7-2-3-8-16(15)14-25-11-4-1-5-12-25/h2-3,6-10,20H,1,4-5,11-14H2,(H,24,26)
InChIKeyNIOZSJKQYRWEEE-UHFFFAOYSA-N
XLogP4.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)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

Related Compounds

2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 17429690
2-(difluoromethylsulfanyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 27865728
N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 46489598
2-(difluoromethylsulfanyl)-N-[(1-hydroxycycloheptyl)methyl]pyridine-3-carboxamide
CID 111428733
2-(difluoromethylsulfanyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 18161411
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
2-(difluoromethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24553021
2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide
CID 18165140
2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide
CID 78810821
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729
2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 18167359

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (CID 24551024) is 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1CN1CCCCC1)c1cccnc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is NIOZSJKQYRWEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3OS/c21-20(22)27-19-17(9-6-10-23-19)18(26)24-13-15-7-2-3-8-16(15)14-25-11-4-1-5-12-25/h2-3,6-10,20H,1,4-5,11-14H2,(H,24,26).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 24551024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).