(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide

C13H14F3N3O2 — CID 128984135

IUPAC(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1C(N)=O
InChIInChI=1S/C13H14F3N3O2/c1-7-5-19(6-9(7)11(17)20)12(21)8-2-3-10(18-4-8)13(14,15)16/h2-4,7,9H,5-6H2,1H3,(H2,17,20)/t7-,9-/m1/s1
InChIKeyNABSDGIHDNCGCR-VXNVDRBHSA-N
MW301.27 g/mol
LogP1.29
Rot. Bonds2

About (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 128984135) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
PubChem CID128984135
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1C(N)=O
InChIInChI=1S/C13H14F3N3O2/c1-7-5-19(6-9(7)11(17)20)12(21)8-2-3-10(18-4-8)13(14,15)16/h2-4,7,9H,5-6H2,1H3,(H2,17,20)/t7-,9-/m1/s1
InChIKeyNABSDGIHDNCGCR-VXNVDRBHSA-N
XLogP1.29
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-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

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 51931215
(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 128984202
(3S,4S)-1-[4-fluoro-3-(trifluoromethyl)benzoyl]-4-methylpyrrolidine-3-carboxamide
CID 128984209
(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983967
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 155260403
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
(3S,4S)-1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085428

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide (CID 128984135) is (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide is C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is NABSDGIHDNCGCR-VXNVDRBHSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-7-5-19(6-9(7)11(17)20)12(21)8-2-3-10(18-4-8)13(14,15)16/h2-4,7,9H,5-6H2,1H3,(H2,17,20)/t7-,9-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 128984135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).