4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide

C17H16F3N3O3 — CID 119878540

IUPAC4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)C1CC(O)CN1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)10-1-4-13(5-2-10)26-15-6-3-11(8-22-15)23-16(25)14-7-12(24)9-21-14/h1-6,8,12,14,21,24H,7,9H2,(H,23,25)
InChIKeyAKLWUOMHZOILOD-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.55
Rot. Bonds4

About 4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 119878540) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID119878540
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)C1CC(O)CN1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)10-1-4-13(5-2-10)26-15-6-3-11(8-22-15)23-16(25)14-7-12(24)9-21-14/h1-6,8,12,14,21,24H,7,9H2,(H,23,25)
InChIKeyAKLWUOMHZOILOD-UHFFFAOYSA-N
XLogP2.55
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888485
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119858536
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119858535
(2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 67953443
N-[6-(4-fluorophenoxy)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119849104
2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
CID 119878541
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878537
N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741335
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide (CID 119878540) is 4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is AKLWUOMHZOILOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)10-1-4-13(5-2-10)26-15-6-3-11(8-22-15)23-16(25)14-7-12(24)9-21-14/h1-6,8,12,14,21,24H,7,9H2,(H,23,25).
What are the key properties of 4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119878540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).