N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide

C17H24ClN3O — CID 146076546

IUPACN-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)nc2)CC12CCCCC2
InChIInChI=1S/C17H24ClN3O/c1-13-7-10-21(12-17(13)8-3-2-4-9-17)16(22)20-14-5-6-15(18)19-11-14/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,22)
InChIKeyMSLIUXOOPBPUFL-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.56
Rot. Bonds1

About N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide

N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 146076546) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID146076546
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC NameN-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)nc2)CC12CCCCC2
InChIInChI=1S/C17H24ClN3O/c1-13-7-10-21(12-17(13)8-3-2-4-9-17)16(22)20-14-5-6-15(18)19-11-14/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,22)
InChIKeyMSLIUXOOPBPUFL-UHFFFAOYSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
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N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70736483
(9aS)-N-(6-chloro-3-pyridinyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 118789483
9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide
CID 138998106
N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 146075621
5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid
CID 120552932
(1S,2S,4S)-N-(6-chloro-3-pyridinyl)spiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-carboxamide
CID 100712520
N-(6-chloro-3-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 10214947
N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide
CID 155221409
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 115742442
3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120552930

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide (CID 146076546) is N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide is CC1CCN(C(=O)Nc2ccc(Cl)nc2)CC12CCCCC2.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is MSLIUXOOPBPUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-13-7-10-21(12-17(13)8-3-2-4-9-17)16(22)20-14-5-6-15(18)19-11-14/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,22).
What are the key properties of N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide?
N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 321.85 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 146076546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).