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

C25H33F3N2O3S — CID 15952819

IUPACN-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC1(C2(CC3CC3)CCC(S(=O)(=O)CC3CC3)CC2)CC1
InChIInChI=1S/C25H33F3N2O3S/c1-16-20(6-7-21(29-16)25(26,27)28)22(31)30-24(12-13-24)23(14-17-2-3-17)10-8-19(9-11-23)34(32,33)15-18-4-5-18/h6-7,17-19H,2-5,8-15H2,1H3,(H,30,31)
InChIKeyDITNLHPZKNQKSD-UHFFFAOYSA-N
MW498.61 g/mol
LogP5.23
Rot. Bonds8

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

N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15952819) has the molecular formula C25H33F3N2O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15952819
Molecular FormulaC25H33F3N2O3S
Molecular Weight498.61 g/mol
Exact Mass498.22
IUPAC NameN-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC1(C2(CC3CC3)CCC(S(=O)(=O)CC3CC3)CC2)CC1
InChIInChI=1S/C25H33F3N2O3S/c1-16-20(6-7-21(29-16)25(26,27)28)22(31)30-24(12-13-24)23(14-17-2-3-17)10-8-19(9-11-23)34(32,33)15-18-4-5-18/h6-7,17-19H,2-5,8-15H2,1H3,(H,30,31)
InChIKeyDITNLHPZKNQKSD-UHFFFAOYSA-N
XLogP5.23
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.61
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[3-(2-Amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 74763838
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
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]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 15952039
6-chloro-N-({1-(cyclopropylmethyl)-4-[(cyclopropylmethyl)sulfonyl]cyclohexyl}methyl)-2-(trifluoromethyl)nicotinamide
CID 15952421
N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 15952422
N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 15952423
N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-6-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 15952424
6-cyclopropyl-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 15952521
N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 15952623
N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 15952722

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 15952819) is N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NC1(C2(CC3CC3)CCC(S(=O)(=O)CC3CC3)CC2)CC1.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DITNLHPZKNQKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N2O3S/c1-16-20(6-7-21(29-16)25(26,27)28)22(31)30-24(12-13-24)23(14-17-2-3-17)10-8-19(9-11-23)34(32,33)15-18-4-5-18/h6-7,17-19H,2-5,8-15H2,1H3,(H,30,31).
What are the key properties of N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[1-[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 5.23, 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]cyclopropyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15952819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).