2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one

C19H24N4O2 — CID 118747098

IUPAC2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one
SMILESCN1CCN(Cc2cccnc2)C2(CCN(Cc3ccoc3)C2)C1=O
InChIInChI=1S/C19H24N4O2/c1-21-8-9-23(13-16-3-2-6-20-11-16)19(18(21)24)5-7-22(15-19)12-17-4-10-25-14-17/h2-4,6,10-11,14H,5,7-9,12-13,15H2,1H3
InChIKeyULSDEEGWXCWFEN-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.59
Rot. Bonds4

About 2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one

2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one (PubChem CID 118747098) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one
PubChem CID118747098
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one
SMILESCN1CCN(Cc2cccnc2)C2(CCN(Cc3ccoc3)C2)C1=O
InChIInChI=1S/C19H24N4O2/c1-21-8-9-23(13-16-3-2-6-20-11-16)19(18(21)24)5-7-22(15-19)12-17-4-10-25-14-17/h2-4,6,10-11,14H,5,7-9,12-13,15H2,1H3
InChIKeyULSDEEGWXCWFEN-UHFFFAOYSA-N
XLogP1.59
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one?
The IUPAC name of 2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one (CID 118747098) is 2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one.
What is the SMILES notation for 2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one?
The canonical SMILES for 2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one is CN1CCN(Cc2cccnc2)C2(CCN(Cc3ccoc3)C2)C1=O.
What is the InChIKey of 2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one?
The InChIKey is ULSDEEGWXCWFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21-8-9-23(13-16-3-2-6-20-11-16)19(18(21)24)5-7-22(15-19)12-17-4-10-25-14-17/h2-4,6,10-11,14H,5,7-9,12-13,15H2,1H3.
What are the key properties of 2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one?
2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one has a molecular weight of 340.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-9-methyl-6-(pyridin-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-10-one is sourced from PubChem (CID 118747098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).