3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone

C17H25N3O — CID 104641203

IUPAC3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCC3(CCCCC3)CC2)nc1
InChIInChI=1S/C17H25N3O/c1-18-14-5-6-15(19-13-14)16(21)20-11-9-17(10-12-20)7-3-2-4-8-17/h5-6,13,18H,2-4,7-12H2,1H3
InChIKeyBCGLWDJOGIDZSD-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.31
Rot. Bonds2

About 3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone

3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone (PubChem CID 104641203) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone
PubChem CID104641203
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCC3(CCCCC3)CC2)nc1
InChIInChI=1S/C17H25N3O/c1-18-14-5-6-15(19-13-14)16(21)20-11-9-17(10-12-20)7-3-2-4-8-17/h5-6,13,18H,2-4,7-12H2,1H3
InChIKeyBCGLWDJOGIDZSD-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone
CID 63161313
[5-(methylamino)-2-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 113436167
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
[4-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104640276
(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
CID 104641276
[5-(methylamino)-2-pyridinyl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745621
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641069
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 104641627
[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641657

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone (CID 104641203) is 3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone is CNc1ccc(C(=O)N2CCC3(CCCCC3)CC2)nc1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone?
The InChIKey is BCGLWDJOGIDZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-14-5-6-15(19-13-14)16(21)20-11-9-17(10-12-20)7-3-2-4-8-17/h5-6,13,18H,2-4,7-12H2,1H3.
What are the key properties of 3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone?
3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone has a molecular weight of 287.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 104641203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).