[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone

C16H24N4O — CID 50956103

IUPAC[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCNc1ncccc1C(=O)N1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C16H24N4O/c1-17-14-13(4-3-8-18-14)15(21)20-10-6-16(7-11-20)5-9-19(2)12-16/h3-4,8H,5-7,9-12H2,1-2H3,(H,17,18)
InChIKeyPFRXUJIEZMHCCW-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.68
Rot. Bonds2

About [2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone

[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 50956103) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID50956103
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCNc1ncccc1C(=O)N1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C16H24N4O/c1-17-14-13(4-3-8-18-14)15(21)20-10-6-16(7-11-20)5-9-19(2)12-16/h3-4,8H,5-7,9-12H2,1-2H3,(H,17,18)
InChIKeyPFRXUJIEZMHCCW-UHFFFAOYSA-N
XLogP1.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
CID 29149627
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62930011
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95147443
[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162177
(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62234639
(3-hydroxy-2-pyridinyl)-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56756209
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534290

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone (CID 50956103) is [2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone is CNc1ncccc1C(=O)N1CCC2(CCN(C)C2)CC1.
What is the InChIKey of [2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is PFRXUJIEZMHCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-17-14-13(4-3-8-18-14)15(21)20-10-6-16(7-11-20)5-9-19(2)12-16/h3-4,8H,5-7,9-12H2,1-2H3,(H,17,18).
What are the key properties of [2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 50956103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).