6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid

C18H26N4O2 — CID 169220277

IUPAC6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid
SMILESCC(C)(C)N1CCC2(CCN(c3ccc(C#N)cn3)C2)C1.O=CO
InChIInChI=1S/C17H24N4.CH2O2/c1-16(2,3)21-9-7-17(13-21)6-8-20(12-17)15-5-4-14(10-18)11-19-15;2-1-3/h4-5,11H,6-9,12-13H2,1-3H3;1H,(H,2,3)
InChIKeyRRLXMKOKXSQENL-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.35
Rot. Bonds1

About 6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid

6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid (PubChem CID 169220277) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid.

Molecular Properties

Compound Name6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid
PubChem CID169220277
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid
SMILESCC(C)(C)N1CCC2(CCN(c3ccc(C#N)cn3)C2)C1.O=CO
InChIInChI=1S/C17H24N4.CH2O2/c1-16(2,3)21-9-7-17(13-21)6-8-20(12-17)15-5-4-14(10-18)11-19-15;2-1-3/h4-5,11H,6-9,12-13H2,1-3H3;1H,(H,2,3)
InChIKeyRRLXMKOKXSQENL-UHFFFAOYSA-N
XLogP2.35
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
CID 155770067
6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile
CID 97482358
6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile
CID 131639669
6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128977041
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
6-[2-(2-fluoro-5-formylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-3-carbonitrile
CID 169220235
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918
2-tert-butyl-7-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 171576647
6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97456290
6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97456289
6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile
CID 166604738
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid?
The IUPAC name of 6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid (CID 169220277) is 6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid.
What is the SMILES notation for 6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid?
The canonical SMILES for 6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid is CC(C)(C)N1CCC2(CCN(c3ccc(C#N)cn3)C2)C1.O=CO.
What is the InChIKey of 6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid?
The InChIKey is RRLXMKOKXSQENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.CH2O2/c1-16(2,3)21-9-7-17(13-21)6-8-20(12-17)15-5-4-14(10-18)11-19-15;2-1-3/h4-5,11H,6-9,12-13H2,1-3H3;1H,(H,2,3).
What are the key properties of 6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid?
6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid has a molecular weight of 330.43 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid is sourced from PubChem (CID 169220277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).