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

C22H31F3N2O3S — CID 15952422

IUPACN-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCS(=O)(=O)C1CCC(CNC(=O)c2ccc(C(F)(F)F)nc2C)(CC2CC2)CC1
InChIInChI=1S/C22H31F3N2O3S/c1-3-12-31(29,30)17-8-10-21(11-9-17,13-16-4-5-16)14-26-20(28)18-6-7-19(22(23,24)25)27-15(18)2/h6-7,16-17H,3-5,8-14H2,1-2H3,(H,26,28)
InChIKeyZQGJZYJCMOONOU-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.69
Rot. Bonds8

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

N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15952422) has the molecular formula C22H31F3N2O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15952422
Molecular FormulaC22H31F3N2O3S
Molecular Weight460.56 g/mol
Exact Mass460.20
IUPAC NameN-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCS(=O)(=O)C1CCC(CNC(=O)c2ccc(C(F)(F)F)nc2C)(CC2CC2)CC1
InChIInChI=1S/C22H31F3N2O3S/c1-3-12-31(29,30)17-8-10-21(11-9-17,13-16-4-5-16)14-26-20(28)18-6-7-19(22(23,24)25)27-15(18)2/h6-7,16-17H,3-5,8-14H2,1-2H3,(H,26,28)
InChIKeyZQGJZYJCMOONOU-UHFFFAOYSA-N
XLogP4.69
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-((4-(6-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44565264
3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-propylsulfonylpiperidine-3-carboxamide
CID 49792534
N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
CID 46942913
3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-propylsulfonylpyrrolidine-3-carboxamide
CID 49792112
6-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 172435083
N-(2-methylsulfonylethyl)-5-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 172435937
2-methyl-N-(2-sulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 177680334
N-[[4-(6-fluoro-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
CID 91008118
2-[1-(Ethanesulfonyl)piperidin-4-YL]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068585
2-methyl-N-[2-(methylsulfonylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71882037
2-methyl-N-(2-methylsulfonylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71938949
(4-(Benzylsulfonyl)piperidin-1-yl)(6-(trifluoromethyl)pyridin-3-yl)methanone
CID 121022766

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 15952422) is N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCCS(=O)(=O)C1CCC(CNC(=O)c2ccc(C(F)(F)F)nc2C)(CC2CC2)CC1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZQGJZYJCMOONOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2O3S/c1-3-12-31(29,30)17-8-10-21(11-9-17,13-16-4-5-16)14-26-20(28)18-6-7-19(22(23,24)25)27-15(18)2/h6-7,16-17H,3-5,8-14H2,1-2H3,(H,26,28).
What are the key properties of N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15952422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).