N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C21H29F3N2O3S — CID 15952423

IUPACN-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCS(=O)(=O)C1CCC(CNC(=O)c2ccc(C(F)(F)F)nc2C)(CC2CC2)CC1
InChIInChI=1S/C21H29F3N2O3S/c1-3-30(28,29)16-8-10-20(11-9-16,12-15-4-5-15)13-25-19(27)17-6-7-18(21(22,23)24)26-14(17)2/h6-7,15-16H,3-5,8-13H2,1-2H3,(H,25,27)
InChIKeyDONLCRPTXAYIII-UHFFFAOYSA-N
MW446.54 g/mol
LogP4.30
Rot. Bonds7

About N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15952423) has the molecular formula C21H29F3N2O3S and a molecular weight of 446.54 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15952423
Molecular FormulaC21H29F3N2O3S
Molecular Weight446.54 g/mol
Exact Mass446.19
IUPAC NameN-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCS(=O)(=O)C1CCC(CNC(=O)c2ccc(C(F)(F)F)nc2C)(CC2CC2)CC1
InChIInChI=1S/C21H29F3N2O3S/c1-3-30(28,29)16-8-10-20(11-9-16,12-15-4-5-15)13-25-19(27)17-6-7-18(21(22,23)24)26-14(17)2/h6-7,15-16H,3-5,8-13H2,1-2H3,(H,25,27)
InChIKeyDONLCRPTXAYIII-UHFFFAOYSA-N
XLogP4.30
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 15952423) is N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCS(=O)(=O)C1CCC(CNC(=O)c2ccc(C(F)(F)F)nc2C)(CC2CC2)CC1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DONLCRPTXAYIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N2O3S/c1-3-30(28,29)16-8-10-20(11-9-16,12-15-4-5-15)13-25-19(27)17-6-7-18(21(22,23)24)26-14(17)2/h6-7,15-16H,3-5,8-13H2,1-2H3,(H,25,27).
What are the key properties of N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15952423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).