9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one

C20H24N4O — CID 118739443

IUPAC9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(CN2CCCC3(CCN(c4cccnc4)C3=O)C2)n1
InChIInChI=1S/C20H24N4O/c1-16-5-2-6-17(22-16)14-23-11-4-8-20(15-23)9-12-24(19(20)25)18-7-3-10-21-13-18/h2-3,5-7,10,13H,4,8-9,11-12,14-15H2,1H3
InChIKeyFUSXUWQQOPAMDV-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.80
Rot. Bonds3

About 9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one

9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118739443) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118739443
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(CN2CCCC3(CCN(c4cccnc4)C3=O)C2)n1
InChIInChI=1S/C20H24N4O/c1-16-5-2-6-17(22-16)14-23-11-4-8-20(15-23)9-12-24(19(20)25)18-7-3-10-21-13-18/h2-3,5-7,10,13H,4,8-9,11-12,14-15H2,1H3
InChIKeyFUSXUWQQOPAMDV-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118739443) is 9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is Cc1cccc(CN2CCCC3(CCN(c4cccnc4)C3=O)C2)n1.
What is the InChIKey of 9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is FUSXUWQQOPAMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-5-2-6-17(22-16)14-23-11-4-8-20(15-23)9-12-24(19(20)25)18-7-3-10-21-13-18/h2-3,5-7,10,13H,4,8-9,11-12,14-15H2,1H3.
What are the key properties of 9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 336.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118739443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).