(5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one

C14H19N3O — CID 66722570

IUPAC(5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cccnc1N1CC[C@]2(CCCNC2)C1=O
InChIInChI=1S/C14H19N3O/c1-11-4-2-8-16-12(11)17-9-6-14(13(17)18)5-3-7-15-10-14/h2,4,8,15H,3,5-7,9-10H2,1H3/t14-/m0/s1
InChIKeyJUTFWVQFDVQSOV-AWEZNQCLSA-N
MW245.33 g/mol
LogP1.50
Rot. Bonds1

About (5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one

(5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 66722570) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID66722570
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cccnc1N1CC[C@]2(CCCNC2)C1=O
InChIInChI=1S/C14H19N3O/c1-11-4-2-8-16-12(11)17-9-6-14(13(17)18)5-3-7-15-10-14/h2,4,8,15H,3,5-7,9-10H2,1H3/t14-/m0/s1
InChIKeyJUTFWVQFDVQSOV-AWEZNQCLSA-N
XLogP1.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one (CID 66722570) is (5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one is Cc1cccnc1N1CC[C@]2(CCCNC2)C1=O.
What is the InChIKey of (5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is JUTFWVQFDVQSOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-4-2-8-16-12(11)17-9-6-14(13(17)18)5-3-7-15-10-14/h2,4,8,15H,3,5-7,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
(5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 245.33 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 66722570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).