5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide

C16H12F3N3O2 — CID 111108710

IUPAC5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCC(O)c2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)12-3-1-2-11(6-12)14(23)9-22-15(24)13-5-4-10(7-20)8-21-13/h1-6,8,14,23H,9H2,(H,22,24)
InChIKeyOKGDKRWUXIZWMO-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.44
Rot. Bonds4

About 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide

5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide (PubChem CID 111108710) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
PubChem CID111108710
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCC(O)c2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)12-3-1-2-11(6-12)14(23)9-22-15(24)13-5-4-10(7-20)8-21-13/h1-6,8,14,23H,9H2,(H,22,24)
InChIKeyOKGDKRWUXIZWMO-UHFFFAOYSA-N
XLogP2.44
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-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

5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111434796
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 111108640
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 102602799
3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166460
3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 56765428
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56783587
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide
CID 110014991
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 113336628
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide (CID 111108710) is 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide is N#Cc1ccc(C(=O)NCC(O)c2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide?
The InChIKey is OKGDKRWUXIZWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)12-3-1-2-11(6-12)14(23)9-22-15(24)13-5-4-10(7-20)8-21-13/h1-6,8,14,23H,9H2,(H,22,24).
What are the key properties of 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide?
5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 111108710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).