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

C23H31F3N2O3S — CID 15952424

IUPACN-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2(CC3CC3)CCC(S(=O)(=O)CC3CC3)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C23H31F3N2O3S/c1-15-2-7-19(20(28-15)23(24,25)26)21(29)27-14-22(12-16-3-4-16)10-8-18(9-11-22)32(30,31)13-17-5-6-17/h2,7,16-18H,3-6,8-14H2,1H3,(H,27,29)
InChIKeyLTFFZNBGHGDAAB-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.69
Rot. Bonds8

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

N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15952424) has the molecular formula C23H31F3N2O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15952424
Molecular FormulaC23H31F3N2O3S
Molecular Weight472.57 g/mol
Exact Mass472.20
IUPAC NameN-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2(CC3CC3)CCC(S(=O)(=O)CC3CC3)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C23H31F3N2O3S/c1-15-2-7-19(20(28-15)23(24,25)26)21(29)27-14-22(12-16-3-4-16)10-8-18(9-11-22)32(30,31)13-17-5-6-17/h2,7,16-18H,3-6,8-14H2,1H3,(H,27,29)
InChIKeyLTFFZNBGHGDAAB-UHFFFAOYSA-N
XLogP4.69
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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
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
2,6-difluoro-N-[[4-(6-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
CID 11698129
N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 15951564

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide (CID 15952424) is N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCC2(CC3CC3)CCC(S(=O)(=O)CC3CC3)CC2)c(C(F)(F)F)n1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LTFFZNBGHGDAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2O3S/c1-15-2-7-19(20(28-15)23(24,25)26)21(29)27-14-22(12-16-3-4-16)10-8-18(9-11-22)32(30,31)13-17-5-6-17/h2,7,16-18H,3-6,8-14H2,1H3,(H,27,29).
What are the key properties of N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide?
N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 472.57 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-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15952424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).