N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide

C21H26ClN3O — CID 169216092

IUPACN-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide
SMILESCc1cc(Cl)cc(NC(=O)C2CCC3(CC2)CN(CC2(C#N)CC2)C3)c1
InChIInChI=1S/C21H26ClN3O/c1-15-8-17(22)10-18(9-15)24-19(26)16-2-4-21(5-3-16)13-25(14-21)12-20(11-23)6-7-20/h8-10,16H,2-7,12-14H2,1H3,(H,24,26)
InChIKeyJEYFELYSJAYWEA-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.38
Rot. Bonds4

About N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide

N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 169216092) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide
PubChem CID169216092
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide
SMILESCc1cc(Cl)cc(NC(=O)C2CCC3(CC2)CN(CC2(C#N)CC2)C3)c1
InChIInChI=1S/C21H26ClN3O/c1-15-8-17(22)10-18(9-15)24-19(26)16-2-4-21(5-3-16)13-25(14-21)12-20(11-23)6-7-20/h8-10,16H,2-7,12-14H2,1H3,(H,24,26)
InChIKeyJEYFELYSJAYWEA-UHFFFAOYSA-N
XLogP4.38
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216210
N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216205
2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216800
N-(3-chloro-5-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 142144155
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216805
N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
CID 110604732
N-(3-chloro-5-fluorophenyl)-2-[2-(cyclopentylamino)-2-oxoethyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216766
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006490
6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 163999803
N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216806
1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149500

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide (CID 169216092) is N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide is Cc1cc(Cl)cc(NC(=O)C2CCC3(CC2)CN(CC2(C#N)CC2)C3)c1.
What is the InChIKey of N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is JEYFELYSJAYWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-15-8-17(22)10-18(9-15)24-19(26)16-2-4-21(5-3-16)13-25(14-21)12-20(11-23)6-7-20/h8-10,16H,2-7,12-14H2,1H3,(H,24,26).
What are the key properties of N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide?
N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 371.91 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 169216092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).