3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone

C17H25N3O — CID 62930860

IUPAC3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCC3(CCCCC3)CC2)ccn1
InChIInChI=1S/C17H25N3O/c1-18-15-13-14(5-10-19-15)16(21)20-11-8-17(9-12-20)6-3-2-4-7-17/h5,10,13H,2-4,6-9,11-12H2,1H3,(H,18,19)
InChIKeyHULFLWWCAXEYEL-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.31
Rot. Bonds2

About 3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone

3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 62930860) 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-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID62930860
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCC3(CCCCC3)CC2)ccn1
InChIInChI=1S/C17H25N3O/c1-18-15-13-14(5-10-19-15)16(21)20-11-8-17(9-12-20)6-3-2-4-7-17/h5,10,13H,2-4,6-9,11-12H2,1H3,(H,18,19)
InChIKeyHULFLWWCAXEYEL-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-[6-(methylamino)-3-pyridinyl]methanone
CID 63161967
8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
CID 103755510
(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161919
(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 70751840
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 25373647
1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70744015
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70720563
(4,4-dimethylazepan-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 65286887
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70756940
3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641203
4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-N-methylpyridin-2-amine
CID 63162051

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone (CID 62930860) is 3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CCC3(CCCCC3)CC2)ccn1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is HULFLWWCAXEYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-15-13-14(5-10-19-15)16(21)20-11-8-17(9-12-20)6-3-2-4-7-17/h5,10,13H,2-4,6-9,11-12H2,1H3,(H,18,19).
What are the key properties of 3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone?
3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-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-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 62930860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).