(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C18H18F3N3O3 — CID 56751667

IUPAC(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)12-4-1-5-14(7-12)27-17-11(3-2-6-22-17)9-24-16(26)15-8-13(25)10-23-15/h1-7,13,15,23,25H,8-10H2,(H,24,26)/t13-,15+/m1/s1
InChIKeyIQMSVLSPMGRGAD-HIFRSBDPSA-N
MW381.35 g/mol
LogP2.23
Rot. Bonds5

About (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56751667) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID56751667
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)12-4-1-5-14(7-12)27-17-11(3-2-6-22-17)9-24-16(26)15-8-13(25)10-23-15/h1-7,13,15,23,25H,8-10H2,(H,24,26)/t13-,15+/m1/s1
InChIKeyIQMSVLSPMGRGAD-HIFRSBDPSA-N
XLogP2.23
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-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

3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 56748506
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56741357
(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125152807
3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 42519424
3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 25289476
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847828
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 56751667) is (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is IQMSVLSPMGRGAD-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c19-18(20,21)12-4-1-5-14(7-12)27-17-11(3-2-6-22-17)9-24-16(26)15-8-13(25)10-23-15/h1-7,13,15,23,25H,8-10H2,(H,24,26)/t13-,15+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56751667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).