2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C17H17F3N4OS — CID 129355700

IUPAC2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H17F3N4OS/c1-26-16-13(3-2-7-21-16)15(25)23-12-6-8-24(10-12)14-5-4-11(9-22-14)17(18,19)20/h2-5,7,9,12H,6,8,10H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyOLSSCZGJBJYODB-GFCCVEGCSA-N
MW382.41 g/mol
LogP3.23
Rot. Bonds4

About 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide

2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 129355700) has the molecular formula C17H17F3N4OS and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID129355700
Molecular FormulaC17H17F3N4OS
Molecular Weight382.41 g/mol
Exact Mass382.11
IUPAC Name2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H17F3N4OS/c1-26-16-13(3-2-7-21-16)15(25)23-12-6-8-24(10-12)14-5-4-11(9-22-14)17(18,19)20/h2-5,7,9,12H,6,8,10H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyOLSSCZGJBJYODB-GFCCVEGCSA-N
XLogP3.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-methylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-3-carboxamide
CID 26323220
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 99875589
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142595
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
5-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 121142594
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 129355700) is 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide is CSc1ncccc1C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is OLSSCZGJBJYODB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17F3N4OS/c1-26-16-13(3-2-7-21-16)15(25)23-12-6-8-24(10-12)14-5-4-11(9-22-14)17(18,19)20/h2-5,7,9,12H,6,8,10H2,1H3,(H,23,25)/t12-/m1/s1.
What are the key properties of 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129355700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).