(2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride

C11H12ClF4N3O2 — CID 126623026

IUPAC(2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OC(F)(F)F)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C11H11F4N3O2.ClH/c12-6-4-7(16-5-6)10(19)18-8-2-1-3-9(17-8)20-11(13,14)15;/h1-3,6-7,16H,4-5H2,(H,17,18,19);1H/t6-,7+;/m1./s1
InChIKeyPRFZTDPBHUGIKI-HHQFNNIRSA-N
MW329.68 g/mol
LogP2.04
Rot. Bonds3

About (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride

(2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 126623026) has the molecular formula C11H12ClF4N3O2 and a molecular weight of 329.68 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID126623026
Molecular FormulaC11H12ClF4N3O2
Molecular Weight329.68 g/mol
Exact Mass329.06
IUPAC Name(2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OC(F)(F)F)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C11H11F4N3O2.ClH/c12-6-4-7(16-5-6)10(19)18-8-2-1-3-9(17-8)20-11(13,14)15;/h1-3,6-7,16H,4-5H2,(H,17,18,19);1H/t6-,7+;/m1./s1
InChIKeyPRFZTDPBHUGIKI-HHQFNNIRSA-N
XLogP2.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.68
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 126623430
(1R,3S,5S)-N-[6-(trifluoromethoxy)-2-pyridinyl]-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide
CID 126670826
N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 175776752
(2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide
CID 163263500
(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carbothioamide;2,2,2-trifluoroacetic acid
CID 175848194
2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
CID 175969631
(2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 59436422
(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130774690
methyl 2-chloro-6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-4-carboxylate
CID 126623338
4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 59509099
N-(6-methoxy-2-pyridinyl)azetidine-3-carboxamide;hydrochloride
CID 142435091
(2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130653783

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride (CID 126623026) is (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(OC(F)(F)F)n1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PRFZTDPBHUGIKI-HHQFNNIRSA-N. The full InChI is InChI=1S/C11H11F4N3O2.ClH/c12-6-4-7(16-5-6)10(19)18-8-2-1-3-9(17-8)20-11(13,14)15;/h1-3,6-7,16H,4-5H2,(H,17,18,19);1H/t6-,7+;/m1./s1.
What are the key properties of (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 329.68 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126623026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).