(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone

C15H21N3O — CID 63161919

IUPAC(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
SMILESNc1cc(C(=O)N2CCC3(CCCC3)CC2)ccn1
InChIInChI=1S/C15H21N3O/c16-13-11-12(3-8-17-13)14(19)18-9-6-15(7-10-18)4-1-2-5-15/h3,8,11H,1-2,4-7,9-10H2,(H2,16,17)
InChIKeySUEPJXDLZHNSSG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.46
Rot. Bonds1

About (2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone

(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 63161919) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID63161919
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
SMILESNc1cc(C(=O)N2CCC3(CCCC3)CC2)ccn1
InChIInChI=1S/C15H21N3O/c16-13-11-12(3-8-17-13)14(19)18-9-6-15(7-10-18)4-1-2-5-15/h3,8,11H,1-2,4-7,9-10H2,(H2,16,17)
InChIKeySUEPJXDLZHNSSG-UHFFFAOYSA-N
XLogP2.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone (CID 63161919) is (2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone is Nc1cc(C(=O)N2CCC3(CCCC3)CC2)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is SUEPJXDLZHNSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-13-11-12(3-8-17-13)14(19)18-9-6-15(7-10-18)4-1-2-5-15/h3,8,11H,1-2,4-7,9-10H2,(H2,16,17).
What are the key properties of (2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 63161919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).