N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide

C22H25F3N2O2 — CID 162546389

IUPACN-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc(OCCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C22H25F3N2O2/c23-22(24,25)18-8-4-7-16(13-18)11-12-29-19-9-10-20(26-15-19)21(28)27-14-17-5-2-1-3-6-17/h4,7-10,13,15,17H,1-3,5-6,11-12,14H2,(H,27,28)
InChIKeyHOKAQCJEKWSBCO-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.03
Rot. Bonds7

About N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide

N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide (PubChem CID 162546389) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide
PubChem CID162546389
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc(OCCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C22H25F3N2O2/c23-22(24,25)18-8-4-7-16(13-18)11-12-29-19-9-10-20(26-15-19)21(28)27-14-17-5-2-1-3-6-17/h4,7-10,13,15,17H,1-3,5-6,11-12,14H2,(H,27,28)
InChIKeyHOKAQCJEKWSBCO-UHFFFAOYSA-N
XLogP5.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]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

N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46083086
5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118554973
N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide
CID 71499319
N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11750036
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
1-[(3-hydroxycyclohexyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 111503910
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide
CID 143467098
N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
5-phenylmethoxy-N-[3-[3-(trifluoromethyl)phenyl]propyl]pyrazine-2-carboxamide
CID 155962309
methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
CID 170993372

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide (CID 162546389) is N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide is O=C(NCC1CCCCC1)c1ccc(OCCc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide?
The InChIKey is HOKAQCJEKWSBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c23-22(24,25)18-8-4-7-16(13-18)11-12-29-19-9-10-20(26-15-19)21(28)27-14-17-5-2-1-3-6-17/h4,7-10,13,15,17H,1-3,5-6,11-12,14H2,(H,27,28).
What are the key properties of N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide?
N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 162546389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).