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

C24H34F3N3O4S — CID 15951564

IUPACN-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCC1(CN2CCOCC2)CCC(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C24H34F3N3O4S/c1-17-20(4-5-21(29-17)24(25,26)27)22(31)28-15-23(16-30-10-12-34-13-11-30)8-6-19(7-9-23)35(32,33)14-18-2-3-18/h4-5,18-19H,2-3,6-16H2,1H3,(H,28,31)
InChIKeyCLVZJUUTFIEKPG-UHFFFAOYSA-N
MW517.61 g/mol
LogP3.22
Rot. Bonds8

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

N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15951564) has the molecular formula C24H34F3N3O4S and a molecular weight of 517.61 g/mol. Its IUPAC name is N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15951564
Molecular FormulaC24H34F3N3O4S
Molecular Weight517.61 g/mol
Exact Mass517.22
IUPAC NameN-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCC1(CN2CCOCC2)CCC(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C24H34F3N3O4S/c1-17-20(4-5-21(29-17)24(25,26)27)22(31)28-15-23(16-30-10-12-34-13-11-30)8-6-19(7-9-23)35(32,33)14-18-2-3-18/h4-5,18-19H,2-3,6-16H2,1H3,(H,28,31)
InChIKeyCLVZJUUTFIEKPG-UHFFFAOYSA-N
XLogP3.22
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 15951564) is N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCC1(CN2CCOCC2)CCC(S(=O)(=O)CC2CC2)CC1.
What is the InChIKey of N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CLVZJUUTFIEKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N3O4S/c1-17-20(4-5-21(29-17)24(25,26)27)22(31)28-15-23(16-30-10-12-34-13-11-30)8-6-19(7-9-23)35(32,33)14-18-2-3-18/h4-5,18-19H,2-3,6-16H2,1H3,(H,28,31).
What are the key properties of N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 517.61 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylmethylsulfonyl)-1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15951564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).