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

C25H33F3N2O3S — CID 15952521

IUPAC6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1)c1ccc(C2CC2)nc1C(F)(F)F
InChIInChI=1S/C25H33F3N2O3S/c26-25(27,28)22-20(7-8-21(30-22)18-5-6-18)23(31)29-15-24(13-16-1-2-16)11-9-19(10-12-24)34(32,33)14-17-3-4-17/h7-8,16-19H,1-6,9-15H2,(H,29,31)
InChIKeyBHMZOEOHSIDQTD-UHFFFAOYSA-N
MW498.61 g/mol
LogP5.26
Rot. Bonds9

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

6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15952521) has the molecular formula C25H33F3N2O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15952521
Molecular FormulaC25H33F3N2O3S
Molecular Weight498.61 g/mol
Exact Mass498.22
IUPAC Name6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1)c1ccc(C2CC2)nc1C(F)(F)F
InChIInChI=1S/C25H33F3N2O3S/c26-25(27,28)22-20(7-8-21(30-22)18-5-6-18)23(31)29-15-24(13-16-1-2-16)11-9-19(10-12-24)34(32,33)14-17-3-4-17/h7-8,16-19H,1-6,9-15H2,(H,29,31)
InChIKeyBHMZOEOHSIDQTD-UHFFFAOYSA-N
XLogP5.26
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.61
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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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
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
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
N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
CID 15951938
2,6-dichloro-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide
CID 15951942
N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 15952039

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 15952521) is 6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCC1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1)c1ccc(C2CC2)nc1C(F)(F)F.
What is the InChIKey of 6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BHMZOEOHSIDQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N2O3S/c26-25(27,28)22-20(7-8-21(30-22)18-5-6-18)23(31)29-15-24(13-16-1-2-16)11-9-19(10-12-24)34(32,33)14-17-3-4-17/h7-8,16-19H,1-6,9-15H2,(H,29,31).
What are the key properties of 6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15952521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).