2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide

C21H24ClN3O2Si — CID 169123893

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide
SMILESCc1nc(N2CCC3(CC2)CC3)c(C(=O)Nc2cccc([Si](C)=O)c2)cc1Cl
InChIInChI=1S/C21H24ClN3O2Si/c1-14-18(22)13-17(19(23-14)25-10-8-21(6-7-21)9-11-25)20(26)24-15-4-3-5-16(12-15)28(2)27/h3-5,12-13H,6-11H2,1-2H3,(H,24,26)
InChIKeyIXCKPKHMONSSNR-UHFFFAOYSA-N
MW413.98 g/mol
LogP3.93
Rot. Bonds4

About 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide (PubChem CID 169123893) has the molecular formula C21H24ClN3O2Si and a molecular weight of 413.98 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide
PubChem CID169123893
Molecular FormulaC21H24ClN3O2Si
Molecular Weight413.98 g/mol
Exact Mass413.13
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide
SMILESCc1nc(N2CCC3(CC2)CC3)c(C(=O)Nc2cccc([Si](C)=O)c2)cc1Cl
InChIInChI=1S/C21H24ClN3O2Si/c1-14-18(22)13-17(19(23-14)25-10-8-21(6-7-21)9-11-25)20(26)24-15-4-3-5-16(12-15)28(2)27/h3-5,12-13H,6-11H2,1-2H3,(H,24,26)
InChIKeyIXCKPKHMONSSNR-UHFFFAOYSA-N
XLogP3.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.98
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-5,6-dimethyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide;ethane
CID 176693975
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
CID 169124911
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylamino)sulfanylphenyl]-6-fluoropyridine-3-carboxamide
CID 155781222
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)-4,6-dimethyl-N-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 176693926
CID 155780788
CID 155780788
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide
CID 155781286
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide
CID 155781177
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-6-[[(1S,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide
CID 167710843
5-chloro-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146576273
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclopentyl(methyl)phosphoryl]phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 167273756

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide (CID 169123893) is 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide is Cc1nc(N2CCC3(CC2)CC3)c(C(=O)Nc2cccc([Si](C)=O)c2)cc1Cl.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide?
The InChIKey is IXCKPKHMONSSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2Si/c1-14-18(22)13-17(19(23-14)25-10-8-21(6-7-21)9-11-25)20(26)24-15-4-3-5-16(12-15)28(2)27/h3-5,12-13H,6-11H2,1-2H3,(H,24,26).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-5-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide has a molecular weight of 413.98 g/mol, XLogP of 3.93, 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-chloro-6-methyl-N-[3-[methyl(oxo)silyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 169123893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).