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

C24H33F3N2O3S — CID 15952623

IUPACN-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC(C)C1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C24H33F3N2O3S/c1-15-20(7-8-21(28-15)24(25,26)27)22(30)29-16(2)23(13-17-3-4-17)11-9-19(10-12-23)33(31,32)14-18-5-6-18/h7-8,16-19H,3-6,9-14H2,1-2H3,(H,29,30)
InChIKeyMWAZFHPWFOITBS-UHFFFAOYSA-N
MW486.60 g/mol
LogP5.08
Rot. Bonds8

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

N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15952623) has the molecular formula C24H33F3N2O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15952623
Molecular FormulaC24H33F3N2O3S
Molecular Weight486.60 g/mol
Exact Mass486.22
IUPAC NameN-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC(C)C1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C24H33F3N2O3S/c1-15-20(7-8-21(28-15)24(25,26)27)22(30)29-16(2)23(13-17-3-4-17)11-9-19(10-12-23)33(31,32)14-18-5-6-18/h7-8,16-19H,3-6,9-14H2,1-2H3,(H,29,30)
InChIKeyMWAZFHPWFOITBS-UHFFFAOYSA-N
XLogP5.08
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
6-(1,1-difluoroethyl)-N-[(1R,2R)-2-methylsulfonylcyclohexyl]pyridine-3-carboxamide
CID 137993276
N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide
CID 164635907
N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 15951564
N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
CID 15951938
N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 15952039
N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide
CID 15952229

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 15952623) is N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NC(C)C1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MWAZFHPWFOITBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N2O3S/c1-15-20(7-8-21(28-15)24(25,26)27)22(30)29-16(2)23(13-17-3-4-17)11-9-19(10-12-23)33(31,32)14-18-5-6-18/h7-8,16-19H,3-6,9-14H2,1-2H3,(H,29,30).
What are the key properties of N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15952623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).