N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

C17H17F2N3OS — CID 112773659

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C17H17F2N3OS/c18-17(19)24-14-5-3-12(4-6-14)21-16(23)15-11-13(7-8-20-15)22-9-1-2-10-22/h3-8,11,17H,1-2,9-10H2,(H,21,23)
InChIKeyAMJYNPLTDNZVHG-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.25
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 112773659) has the molecular formula C17H17F2N3OS and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID112773659
Molecular FormulaC17H17F2N3OS
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C17H17F2N3OS/c18-17(19)24-14-5-3-12(4-6-14)21-16(23)15-11-13(7-8-20-15)22-9-1-2-10-22/h3-8,11,17H,1-2,9-10H2,(H,21,23)
InChIKeyAMJYNPLTDNZVHG-UHFFFAOYSA-N
XLogP4.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-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

N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109218677
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692
N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203933
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 112773659) is N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is O=C(Nc1ccc(SC(F)F)cc1)c1cc(N2CCCC2)ccn1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is AMJYNPLTDNZVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3OS/c18-17(19)24-14-5-3-12(4-6-14)21-16(23)15-11-13(7-8-20-15)22-9-1-2-10-22/h3-8,11,17H,1-2,9-10H2,(H,21,23).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 112773659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).