(2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

C11H12F3N3O2 — CID 67953443

IUPAC(2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)6-1-2-9(16-4-6)17-10(19)8-3-7(18)5-15-8/h1-2,4,7-8,15,18H,3,5H2,(H,16,17,19)/t7-,8+/m1/s1
InChIKeyKSESXVKMXYVWAG-SFYZADRCSA-N
MW275.23 g/mol
LogP0.76
Rot. Bonds2

About (2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 67953443) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID67953443
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name(2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)6-1-2-9(16-4-6)17-10(19)8-3-7(18)5-15-8/h1-2,4,7-8,15,18H,3,5H2,(H,16,17,19)/t7-,8+/m1/s1
InChIKeyKSESXVKMXYVWAG-SFYZADRCSA-N
XLogP0.76
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119878540
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43120795
(2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 59436460
(2S,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125152598
(2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 46843279
(2R,4S)-4-hydroxy-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 28943404
4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 167479090
4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide
CID 119808841
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703870
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114422738

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 67953443) is (2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is KSESXVKMXYVWAG-SFYZADRCSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)6-1-2-9(16-4-6)17-10(19)8-3-7(18)5-15-8/h1-2,4,7-8,15,18H,3,5H2,(H,16,17,19)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 275.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).