2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide

C24H30N4OS — CID 155781177

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide
SMILESCN(Sc1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1)C1CCC1
InChIInChI=1S/C24H30N4OS/c1-27(19-6-3-7-19)30-20-8-2-5-18(17-20)26-23(29)21-9-4-14-25-22(21)28-15-12-24(10-11-24)13-16-28/h2,4-5,8-9,14,17,19H,3,6-7,10-13,15-16H2,1H3,(H,26,29)
InChIKeyNZEACAXQHJQTGB-UHFFFAOYSA-N
MW422.60 g/mol
LogP5.21
Rot. Bonds6

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide (PubChem CID 155781177) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide
PubChem CID155781177
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide
SMILESCN(Sc1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1)C1CCC1
InChIInChI=1S/C24H30N4OS/c1-27(19-6-3-7-19)30-20-8-2-5-18(17-20)26-23(29)21-9-4-14-25-22(21)28-15-12-24(10-11-24)13-16-28/h2,4-5,8-9,14,17,19H,3,6-7,10-13,15-16H2,1H3,(H,26,29)
InChIKeyNZEACAXQHJQTGB-UHFFFAOYSA-N
XLogP5.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.60
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide
CID 155781458
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
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylamino)sulfanylphenyl]-6-fluoropyridine-3-carboxamide
CID 155781222
N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84576179
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454
2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane
CID 176693975
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 56508446
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
2-(6-azaspiro[2.5]octan-6-yl)-4,6-dimethyl-N-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 176693926
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51324941

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide (CID 155781177) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide is CN(Sc1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1)C1CCC1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide?
The InChIKey is NZEACAXQHJQTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-27(19-6-3-7-19)30-20-8-2-5-18(17-20)26-23(29)21-9-4-14-25-22(21)28-15-12-24(10-11-24)13-16-28/h2,4-5,8-9,14,17,19H,3,6-7,10-13,15-16H2,1H3,(H,26,29).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide has a molecular weight of 422.60 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155781177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).