6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile

C16H22N4 — CID 56745250

IUPAC6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCCC3(CCN(C)C3)C2)n1
InChIInChI=1S/C16H22N4/c1-13-4-5-14(10-17)15(18-13)20-8-3-6-16(12-20)7-9-19(2)11-16/h4-5H,3,6-9,11-12H2,1-2H3
InChIKeyDGRGCKSHMKLKLC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.18
Rot. Bonds1

About 6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile

6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile (PubChem CID 56745250) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile
PubChem CID56745250
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCCC3(CCN(C)C3)C2)n1
InChIInChI=1S/C16H22N4/c1-13-4-5-14(10-17)15(18-13)20-8-3-6-16(12-20)7-9-19(2)11-16/h4-5H,3,6-9,11-12H2,1-2H3
InChIKeyDGRGCKSHMKLKLC-UHFFFAOYSA-N
XLogP2.18
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile (CID 56745250) is 6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCCC3(CCN(C)C3)C2)n1.
What is the InChIKey of 6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile?
The InChIKey is DGRGCKSHMKLKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-4-5-14(10-17)15(18-13)20-8-3-6-16(12-20)7-9-19(2)11-16/h4-5H,3,6-9,11-12H2,1-2H3.
What are the key properties of 6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile?
6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56745250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).