N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C17H17F2N3OS — CID 71941798

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)N1CCCC1c1ccncc1
InChIInChI=1S/C17H17F2N3OS/c18-16(19)24-14-5-3-13(4-6-14)21-17(23)22-11-1-2-15(22)12-7-9-20-10-8-12/h3-10,15-16H,1-2,11H2,(H,21,23)
InChIKeyPJYXCTYKZHXQRL-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.77
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 71941798) has the molecular formula C17H17F2N3OS and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID71941798
Molecular FormulaC17H17F2N3OS
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)N1CCCC1c1ccncc1
InChIInChI=1S/C17H17F2N3OS/c18-16(19)24-14-5-3-13(4-6-14)21-17(23)22-11-1-2-15(22)12-7-9-20-10-8-12/h3-10,15-16H,1-2,11H2,(H,21,23)
InChIKeyPJYXCTYKZHXQRL-UHFFFAOYSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide
CID 86988125
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720
(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661719
N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71895904
(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94156095
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 94796932
(2R)-N-(3-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94655019
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 71941798) is N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(Nc1ccc(SC(F)F)cc1)N1CCCC1c1ccncc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is PJYXCTYKZHXQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3OS/c18-16(19)24-14-5-3-13(4-6-14)21-17(23)22-11-1-2-15(22)12-7-9-20-10-8-12/h3-10,15-16H,1-2,11H2,(H,21,23).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71941798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).