4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile

C17H23N3 — CID 63886161

IUPAC4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2CCC3(CCCCC3)CC2)ccn1
InChIInChI=1S/C17H23N3/c18-13-16-12-15(4-9-19-16)14-20-10-7-17(8-11-20)5-2-1-3-6-17/h4,9,12H,1-3,5-8,10-11,14H2
InChIKeyZQGNSUXRAIKOPZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.50
Rot. Bonds2

About 4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile

4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile (PubChem CID 63886161) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile
PubChem CID63886161
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2CCC3(CCCCC3)CC2)ccn1
InChIInChI=1S/C17H23N3/c18-13-16-12-15(4-9-19-16)14-20-10-7-17(8-11-20)5-2-1-3-6-17/h4,9,12H,1-3,5-8,10-11,14H2
InChIKeyZQGNSUXRAIKOPZ-UHFFFAOYSA-N
XLogP3.50
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 115305378
4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 58394785
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 63885775
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
CID 63885388
4-[(4-acetyl-1,4-diazepan-1-yl)methyl]pyridine-2-carbonitrile
CID 63885773
4-[(3-aminopiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63882954
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridine-2-carbonitrile
CID 63885765
4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile
CID 169137895
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
CID 79932272
4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448856

Frequently Asked Questions

What is the IUPAC name of 4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile (CID 63886161) is 4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile is N#Cc1cc(CN2CCC3(CCCCC3)CC2)ccn1.
What is the InChIKey of 4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile?
The InChIKey is ZQGNSUXRAIKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-13-16-12-15(4-9-19-16)14-20-10-7-17(8-11-20)5-2-1-3-6-17/h4,9,12H,1-3,5-8,10-11,14H2.
What are the key properties of 4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile?
4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile has a molecular weight of 269.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 63886161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).