5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide

C21H24ClF3N4OS — CID 176694679

IUPAC5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCSc1cc(NC(=O)c2c(N3CCC(C)(C(F)(F)F)CC3)nc(C)c(Cl)c2C)ccn1
InChIInChI=1S/C21H24ClF3N4OS/c1-12-16(19(30)28-14-5-8-26-15(11-14)31-4)18(27-13(2)17(12)22)29-9-6-20(3,7-10-29)21(23,24)25/h5,8,11H,6-7,9-10H2,1-4H3,(H,26,28,30)
InChIKeyRVFRTQPYLZUVTB-UHFFFAOYSA-N
MW472.96 g/mol
LogP5.89
Rot. Bonds4

About 5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide

5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 176694679) has the molecular formula C21H24ClF3N4OS and a molecular weight of 472.96 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID176694679
Molecular FormulaC21H24ClF3N4OS
Molecular Weight472.96 g/mol
Exact Mass472.13
IUPAC Name5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCSc1cc(NC(=O)c2c(N3CCC(C)(C(F)(F)F)CC3)nc(C)c(Cl)c2C)ccn1
InChIInChI=1S/C21H24ClF3N4OS/c1-12-16(19(30)28-14-5-8-26-15(11-14)31-4)18(27-13(2)17(12)22)29-9-6-20(3,7-10-29)21(23,24)25/h5,8,11H,6-7,9-10H2,1-4H3,(H,26,28,30)
InChIKeyRVFRTQPYLZUVTB-UHFFFAOYSA-N
XLogP5.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.96
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 176694485
5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide
CID 176693893
2-(6-azaspiro[2.5]octan-6-yl)-4,6-dimethyl-N-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 176693926
5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 151082126
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;methanol;methylsulfanylmethane
CID 176694650
5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-[2-(methylsulfonimidoyl)-4-pyridinyl]pyridine-3-carboxamide
CID 169124947
2-(4,4-difluoroazepan-1-yl)-5-methoxy-4-methyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176694105
5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 169124312
5-chloro-6-cyano-2-(4,4-difluoroazepan-1-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169123723
1-[(1R)-1-(3,3-difluorocyclobutyl)ethyl]-3-(1,1-difluoroethyl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyrazole-5-carboxamide
CID 166528400
6-(4,4-difluoroazepan-1-yl)-2,2-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-1,4-benzoxazine-7-carboxamide
CID 176694578
N-[(E)-but-2-en-2-yl]-5-chloro-2-(4,4-dimethylazepan-1-yl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 169124296

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide (CID 176694679) is 5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide is CSc1cc(NC(=O)c2c(N3CCC(C)(C(F)(F)F)CC3)nc(C)c(Cl)c2C)ccn1.
What is the InChIKey of 5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is RVFRTQPYLZUVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF3N4OS/c1-12-16(19(30)28-14-5-8-26-15(11-14)31-4)18(27-13(2)17(12)22)29-9-6-20(3,7-10-29)21(23,24)25/h5,8,11H,6-7,9-10H2,1-4H3,(H,26,28,30).
What are the key properties of 5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 472.96 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-N-(2-methylsulfanyl-4-pyridinyl)-2-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176694679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).