2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane

C24H33N3OS — CID 176693975

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane
SMILESCC.CSc1cccc(NC(=O)c2cc(C)c(C)nc2N2CCC3(CC2)CC3)c1
InChIInChI=1S/C22H27N3OS.C2H6/c1-15-13-19(21(26)24-17-5-4-6-18(14-17)27-3)20(23-16(15)2)25-11-9-22(7-8-22)10-12-25;1-2/h4-6,13-14H,7-12H2,1-3H3,(H,24,26);1-2H3
InChIKeyLEWLTZQKJDKXRG-UHFFFAOYSA-N
MW411.62 g/mol
LogP6.08
Rot. Bonds4

About 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane

2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane (PubChem CID 176693975) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane
PubChem CID176693975
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane
SMILESCC.CSc1cccc(NC(=O)c2cc(C)c(C)nc2N2CCC3(CC2)CC3)c1
InChIInChI=1S/C22H27N3OS.C2H6/c1-15-13-19(21(26)24-17-5-4-6-18(14-17)27-3)20(23-16(15)2)25-11-9-22(7-8-22)10-12-25;1-2/h4-6,13-14H,7-12H2,1-3H3,(H,24,26);1-2H3
InChIKeyLEWLTZQKJDKXRG-UHFFFAOYSA-N
XLogP6.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane with MolForge

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-4,6-dimethyl-N-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 176693926
2-(4,4-difluoroazepan-1-yl)-N-(3-methylsulfanylphenyl)quinoline-3-carboxamide
CID 169264444
2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide
CID 169123893
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylamino)sulfanylphenyl]-6-fluoropyridine-3-carboxamide
CID 155781222
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfanylphenyl)-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxamide
CID 155781382
3-(4,4-difluoroazepan-1-yl)-2,5-dimethyl-N-(3-methylsulfanylphenyl)-6-(trifluoromethyl)pyridine-4-carboxamide
CID 176694743
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide
CID 155781177
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
2-(4,4-difluoroazepan-1-yl)-4-methyl-5-(4-methylphenyl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 169123927
5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide
CID 176693893
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane (CID 176693975) is 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane is CC.CSc1cccc(NC(=O)c2cc(C)c(C)nc2N2CCC3(CC2)CC3)c1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane?
The InChIKey is LEWLTZQKJDKXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS.C2H6/c1-15-13-19(21(26)24-17-5-4-6-18(14-17)27-3)20(23-16(15)2)25-11-9-22(7-8-22)10-12-25;1-2/h4-6,13-14H,7-12H2,1-3H3,(H,24,26);1-2H3.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane?
2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane has a molecular weight of 411.62 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane is sourced from PubChem (CID 176693975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).