1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one

C17H24N4O — CID 162630144

IUPAC1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
SMILESNc1ncccc1CN1CCCC12CCCN(C1CC1)C2=O
InChIInChI=1S/C17H24N4O/c18-15-13(4-1-9-19-15)12-20-10-2-7-17(20)8-3-11-21(16(17)22)14-5-6-14/h1,4,9,14H,2-3,5-8,10-12H2,(H2,18,19)
InChIKeyCPGLPOPTUMGXGL-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.78
Rot. Bonds3

About 1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one

1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162630144) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162630144
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
SMILESNc1ncccc1CN1CCCC12CCCN(C1CC1)C2=O
InChIInChI=1S/C17H24N4O/c18-15-13(4-1-9-19-15)12-20-10-2-7-17(20)8-3-11-21(16(17)22)14-5-6-14/h1,4,9,14H,2-3,5-8,10-12H2,(H2,18,19)
InChIKeyCPGLPOPTUMGXGL-UHFFFAOYSA-N
XLogP1.78
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one (CID 162630144) is 1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one is Nc1ncccc1CN1CCCC12CCCN(C1CC1)C2=O.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is CPGLPOPTUMGXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c18-15-13(4-1-9-19-15)12-20-10-2-7-17(20)8-3-11-21(16(17)22)14-5-6-14/h1,4,9,14H,2-3,5-8,10-12H2,(H2,18,19).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 300.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162630144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).