N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C17H23F3N2O2 — CID 162582023

IUPACN-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC1CCCCC(CO)CC1
InChIInChI=1S/C17H23F3N2O2/c1-11-14(8-9-15(21-11)17(18,19)20)16(24)22-13-5-3-2-4-12(10-23)6-7-13/h8-9,12-13,23H,2-7,10H2,1H3,(H,22,24)
InChIKeyJEYUFFSYACZHRE-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.47
Rot. Bonds3

About N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 162582023) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID162582023
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC1CCCCC(CO)CC1
InChIInChI=1S/C17H23F3N2O2/c1-11-14(8-9-15(21-11)17(18,19)20)16(24)22-13-5-3-2-4-12(10-23)6-7-13/h8-9,12-13,23H,2-7,10H2,1H3,(H,22,24)
InChIKeyJEYUFFSYACZHRE-UHFFFAOYSA-N
XLogP3.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-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-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
N-(4-hydroxycyclohexyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134004658
N-[(4S)-azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124938802
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 171367592
2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 6930830
2-methyl-N-[1-(5-methyl-1H-pyrazole-4-carbonyl)azepan-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 110248413
N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 92634667
2-methyl-N-[(4S)-1-[2-(1,2,4-triazol-1-yl)acetyl]azepan-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 92634373
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
2-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120557628
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69438762

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 162582023) is N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NC1CCCCC(CO)CC1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JEYUFFSYACZHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-11-14(8-9-15(21-11)17(18,19)20)16(24)22-13-5-3-2-4-12(10-23)6-7-13/h8-9,12-13,23H,2-7,10H2,1H3,(H,22,24).
What are the key properties of N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 162582023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).