6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile

C20H26N4O2 — CID 72903442

IUPAC6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)n1
InChIInChI=1S/C20H26N4O2/c21-13-16-3-1-5-18(22-16)23-10-8-20(9-11-23)7-6-19(25)24(15-20)14-17-4-2-12-26-17/h1,3,5,17H,2,4,6-12,14-15H2
InChIKeyNXDRAMLVUFSWSK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.34
Rot. Bonds3

About 6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile

6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile (PubChem CID 72903442) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile
PubChem CID72903442
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)n1
InChIInChI=1S/C20H26N4O2/c21-13-16-3-1-5-18(22-16)23-10-8-20(9-11-23)7-6-19(25)24(15-20)14-17-4-2-12-26-17/h1,3,5,17H,2,4,6-12,14-15H2
InChIKeyNXDRAMLVUFSWSK-UHFFFAOYSA-N
XLogP2.34
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile (CID 72903442) is 6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)n1.
What is the InChIKey of 6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
The InChIKey is NXDRAMLVUFSWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-13-16-3-1-5-18(22-16)23-10-8-20(9-11-23)7-6-19(25)24(15-20)14-17-4-2-12-26-17/h1,3,5,17H,2,4,6-12,14-15H2.
What are the key properties of 6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile has a molecular weight of 354.45 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 72903442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).