4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile

C19H19N5O — CID 131654551

IUPAC4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
SMILESCc1ccc(N2CCC3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)nn1
InChIInChI=1S/C19H19N5O/c1-14-2-7-17(22-21-14)23-9-8-19(12-23)10-18(25)24(13-19)16-5-3-15(11-20)4-6-16/h2-7H,8-10,12-13H2,1H3
InChIKeySJEPTIPAJVBEOH-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.29
Rot. Bonds2

About 4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile

4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile (PubChem CID 131654551) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
PubChem CID131654551
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
SMILESCc1ccc(N2CCC3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)nn1
InChIInChI=1S/C19H19N5O/c1-14-2-7-17(22-21-14)23-9-8-19(12-23)10-18(25)24(13-19)16-5-3-15(11-20)4-6-16/h2-7H,8-10,12-13H2,1H3
InChIKeySJEPTIPAJVBEOH-UHFFFAOYSA-N
XLogP2.29
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131643802
4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 134073075
4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 97399015
4-[3-oxo-7-(1H-pyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 131681839
6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one
CID 144760105
(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97484053
4-(5-azaspiro[2.5]octan-5-yl)benzonitrile
CID 133480870
9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 131649510
6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
CID 155770067
(5R)-7-(6-methylpyridazin-3-yl)-2-propyl-2,7-diazaspiro[4.5]decane
CID 97484147
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
9-(6-methylpyridazin-3-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72857885

Frequently Asked Questions

What is the IUPAC name of 4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
The IUPAC name of 4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile (CID 131654551) is 4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile.
What is the SMILES notation for 4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
The canonical SMILES for 4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile is Cc1ccc(N2CCC3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)nn1.
What is the InChIKey of 4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
The InChIKey is SJEPTIPAJVBEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-2-7-17(22-21-14)23-9-8-19(12-23)10-18(25)24(13-19)16-5-3-15(11-20)4-6-16/h2-7H,8-10,12-13H2,1H3.
What are the key properties of 4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile has a molecular weight of 333.40 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile is sourced from PubChem (CID 131654551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).