2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile

C21H30N4O2 — CID 70730777

IUPAC2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCOCCN1CC2(CCC1=O)CCN(c1nc(C(C)C)ccc1C#N)CC2
InChIInChI=1S/C21H30N4O2/c1-16(2)18-5-4-17(14-22)20(23-18)24-10-8-21(9-11-24)7-6-19(26)25(15-21)12-13-27-3/h4-5,16H,6-13,15H2,1-3H3
InChIKeyUIRQWFSCJVOFJG-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.93
Rot. Bonds5

About 2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile

2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 70730777) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID70730777
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCOCCN1CC2(CCC1=O)CCN(c1nc(C(C)C)ccc1C#N)CC2
InChIInChI=1S/C21H30N4O2/c1-16(2)18-5-4-17(14-22)20(23-18)24-10-8-21(9-11-24)7-6-19(26)25(15-21)12-13-27-3/h4-5,16H,6-13,15H2,1-3H3
InChIKeyUIRQWFSCJVOFJG-UHFFFAOYSA-N
XLogP2.93
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile (CID 70730777) is 2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile is COCCN1CC2(CCC1=O)CCN(c1nc(C(C)C)ccc1C#N)CC2.
What is the InChIKey of 2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is UIRQWFSCJVOFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(2)18-5-4-17(14-22)20(23-18)24-10-8-21(9-11-24)7-6-19(26)25(15-21)12-13-27-3/h4-5,16H,6-13,15H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile?
2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 370.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 70730777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).