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

C23H31F3N2O3S — CID 15952039

IUPACN-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)ncc1C(=O)NCC1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C23H31F3N2O3S/c1-15-10-20(23(24,25)26)27-12-19(15)21(29)28-14-22(11-16-2-3-16)8-6-18(7-9-22)32(30,31)13-17-4-5-17/h10,12,16-18H,2-9,11,13-14H2,1H3,(H,28,29)
InChIKeyIVUBWYFAXCONKP-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.69
Rot. Bonds8

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

N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15952039) 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]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15952039
Molecular FormulaC23H31F3N2O3S
Molecular Weight472.57 g/mol
Exact Mass472.20
IUPAC NameN-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)ncc1C(=O)NCC1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C23H31F3N2O3S/c1-15-10-20(23(24,25)26)27-12-19(15)21(29)28-14-22(11-16-2-3-16)8-6-18(7-9-22)32(30,31)13-17-4-5-17/h10,12,16-18H,2-9,11,13-14H2,1H3,(H,28,29)
InChIKeyIVUBWYFAXCONKP-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 15952039) is N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(C(F)(F)F)ncc1C(=O)NCC1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IVUBWYFAXCONKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2O3S/c1-15-10-20(23(24,25)26)27-12-19(15)21(29)28-14-22(11-16-2-3-16)8-6-18(7-9-22)32(30,31)13-17-4-5-17/h10,12,16-18H,2-9,11,13-14H2,1H3,(H,28,29).
What are the key properties of N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]-4-methyl-6-(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]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15952039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).