6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile

C15H18N4O — CID 155770067

IUPAC6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
SMILESCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)cn1)C2
InChIInChI=1S/C15H18N4O/c1-12(20)18-6-4-15(5-7-18)10-19(11-15)14-3-2-13(8-16)9-17-14/h2-3,9H,4-7,10-11H2,1H3
InChIKeySWCXQSHJRKLHQB-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.40
Rot. Bonds1

About 6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile

6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile (PubChem CID 155770067) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
PubChem CID155770067
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
SMILESCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)cn1)C2
InChIInChI=1S/C15H18N4O/c1-12(20)18-6-4-15(5-7-18)10-19(11-15)14-3-2-13(8-16)9-17-14/h2-3,9H,4-7,10-11H2,1H3
InChIKeySWCXQSHJRKLHQB-UHFFFAOYSA-N
XLogP1.40
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid
CID 169220277
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile
CID 97482358
4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid
CID 67325965
6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 165434752
6-[2-(2-fluoro-5-formylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-3-carbonitrile
CID 169220235
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171493313
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971

Frequently Asked Questions

What is the IUPAC name of 6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile (CID 155770067) is 6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile is CC(=O)N1CCC2(CC1)CN(c1ccc(C#N)cn1)C2.
What is the InChIKey of 6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile?
The InChIKey is SWCXQSHJRKLHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12(20)18-6-4-15(5-7-18)10-19(11-15)14-3-2-13(8-16)9-17-14/h2-3,9H,4-7,10-11H2,1H3.
What are the key properties of 6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile?
6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 155770067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).