2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile

C10H8N4 — CID 123677104

IUPAC2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1cnc(N2CCC2)c(C#N)c1
InChIInChI=1S/C10H8N4/c11-5-8-4-9(6-12)10(13-7-8)14-2-1-3-14/h4,7H,1-3H2
InChIKeyMUWDSFYTBMZLIX-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.04
Rot. Bonds1

About 2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile

2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile (PubChem CID 123677104) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile
PubChem CID123677104
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1cnc(N2CCC2)c(C#N)c1
InChIInChI=1S/C10H8N4/c11-5-8-4-9(6-12)10(13-7-8)14-2-1-3-14/h4,7H,1-3H2
InChIKeyMUWDSFYTBMZLIX-UHFFFAOYSA-N
XLogP1.04
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 14256459
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
CID 170925735
5-fluoro-6-piperazin-1-ylpyridine-3-carbonitrile
CID 177335038
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875
5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 76848480
2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 175475719
5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 103469314
5-amino-6-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 103467569
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile
CID 113335499
2-[4-(3-chloro-5-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 136513118
5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 176693130
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile (CID 123677104) is 2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile is N#Cc1cnc(N2CCC2)c(C#N)c1.
What is the InChIKey of 2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is MUWDSFYTBMZLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-5-8-4-9(6-12)10(13-7-8)14-2-1-3-14/h4,7H,1-3H2.
What are the key properties of 2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile?
2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 123677104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).