2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile

C10H9N5 — CID 130279715

IUPAC2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile
SMILESN#CC(N)C(C#N)/N=C/c1ccccn1
InChIInChI=1S/C10H9N5/c11-5-9(13)10(6-12)15-7-8-3-1-2-4-14-8/h1-4,7,9-10H,13H2/b15-7+
InChIKeyFPFUQWMWAONSAH-VIZOYTHASA-N
MW199.22 g/mol
LogP0.24
Rot. Bonds3

About 2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile

2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile (PubChem CID 130279715) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile.

Molecular Properties

Compound Name2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile
PubChem CID130279715
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile
SMILESN#CC(N)C(C#N)/N=C/c1ccccn1
InChIInChI=1S/C10H9N5/c11-5-9(13)10(6-12)15-7-8-3-1-2-4-14-8/h1-4,7,9-10H,13H2/b15-7+
InChIKeyFPFUQWMWAONSAH-VIZOYTHASA-N
XLogP0.24
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[bis(2-phenylphenyl)methyl]-1-pyridin-2-ylmethanimine;carbanide;iron(2+)
CID 161291122
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine
CID 100979849
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570
N-phenoxy-1-pyridin-2-ylmethanimine
CID 54492053
N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidoselenoate
CID 54577616
manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
CID 11826597
zinc bis(phenyl-[(Z)-pyridin-2-ylmethylideneamino]azanide)
CID 139168715
N-[(1S)-1-naphthalen-2-ylethyl]-1-pyridin-2-ylmethanimine
CID 100979851
N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine
CID 101469061
4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine
CID 71606501

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile?
The IUPAC name of 2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile (CID 130279715) is 2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile.
What is the SMILES notation for 2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile?
The canonical SMILES for 2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile is N#CC(N)C(C#N)/N=C/c1ccccn1.
What is the InChIKey of 2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile?
The InChIKey is FPFUQWMWAONSAH-VIZOYTHASA-N. The full InChI is InChI=1S/C10H9N5/c11-5-9(13)10(6-12)15-7-8-3-1-2-4-14-8/h1-4,7,9-10H,13H2/b15-7+.
What are the key properties of 2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile?
2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile has a molecular weight of 199.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(pyridin-2-ylmethylideneamino)butanedinitrile is sourced from PubChem (CID 130279715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).