1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C20H25N3O2 — CID 118746508

IUPAC1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)CC(c2cccnc2)C(=O)N3C)o1
InChIInChI=1S/C20H25N3O2/c1-15-5-6-17(25-15)14-23-10-7-20(8-11-23)12-18(19(24)22(20)2)16-4-3-9-21-13-16/h3-6,9,13,18H,7-8,10-12,14H2,1-2H3
InChIKeyJSTYXJRJUYFKEI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.96
Rot. Bonds3

About 1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118746508) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118746508
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)CC(c2cccnc2)C(=O)N3C)o1
InChIInChI=1S/C20H25N3O2/c1-15-5-6-17(25-15)14-23-10-7-20(8-11-23)12-18(19(24)22(20)2)16-4-3-9-21-13-16/h3-6,9,13,18H,7-8,10-12,14H2,1-2H3
InChIKeyJSTYXJRJUYFKEI-UHFFFAOYSA-N
XLogP2.96
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 118746508) is 1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(CN2CCC3(CC2)CC(c2cccnc2)C(=O)N3C)o1.
What is the InChIKey of 1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JSTYXJRJUYFKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-5-6-17(25-15)14-23-10-7-20(8-11-23)12-18(19(24)22(20)2)16-4-3-9-21-13-16/h3-6,9,13,18H,7-8,10-12,14H2,1-2H3.
What are the key properties of 1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118746508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).