(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H11F4N3O — CID 120923487

IUPAC(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CN(c2ncccc2F)C[C@H]1C(F)(F)F
InChIInChI=1S/C11H11F4N3O/c12-8-2-1-3-17-10(8)18-4-6(9(16)19)7(5-18)11(13,14)15/h1-3,6-7H,4-5H2,(H2,16,19)/t6-,7-/m1/s1
InChIKeyWCTCCORGJLLXDO-RNFRBKRXSA-N
MW277.22 g/mol
LogP1.32
Rot. Bonds2

About (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120923487) has the molecular formula C11H11F4N3O and a molecular weight of 277.22 g/mol. Its IUPAC name is (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120923487
Molecular FormulaC11H11F4N3O
Molecular Weight277.22 g/mol
Exact Mass277.08
IUPAC Name(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CN(c2ncccc2F)C[C@H]1C(F)(F)F
InChIInChI=1S/C11H11F4N3O/c12-8-2-1-3-17-10(8)18-4-6(9(16)19)7(5-18)11(13,14)15/h1-3,6-7H,4-5H2,(H2,16,19)/t6-,7-/m1/s1
InChIKeyWCTCCORGJLLXDO-RNFRBKRXSA-N
XLogP1.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063997
(3S,4S)-4-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 122063982
(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 72848072
1-(3-fluoro-2-pyridinyl)-4-methylpyrrolidin-3-amine
CID 103577365
(2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
CID 128978202
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
(3S,4S)-1-(2-chloro-3-fluorobenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120949538
1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603345
(3S,4S)-1-(3-pyrrolidin-1-ylquinoxalin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064050
tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 129371703
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 172686931

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120923487) is (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CN(c2ncccc2F)C[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is WCTCCORGJLLXDO-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H11F4N3O/c12-8-2-1-3-17-10(8)18-4-6(9(16)19)7(5-18)11(13,14)15/h1-3,6-7H,4-5H2,(H2,16,19)/t6-,7-/m1/s1.
What are the key properties of (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 277.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120923487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).