3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile

C13H12N4 — CID 62983159

IUPAC3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1ncccc1N
InChIInChI=1S/C13H12N4/c1-17(13-12(15)6-3-7-16-13)11-5-2-4-10(8-11)9-14/h2-8H,15H2,1H3
InChIKeyVHTZFKWXIHCIDP-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.30
Rot. Bonds2

About 3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile

3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile (PubChem CID 62983159) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
PubChem CID62983159
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1ncccc1N
InChIInChI=1S/C13H12N4/c1-17(13-12(15)6-3-7-16-13)11-5-2-4-10(8-11)9-14/h2-8H,15H2,1H3
InChIKeyVHTZFKWXIHCIDP-UHFFFAOYSA-N
XLogP2.30
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine
CID 55207910
2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382290
3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile
CID 62981408
3-[(3-aminoquinolin-4-yl)-methylamino]benzonitrile
CID 103963260
3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile
CID 62982275
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]benzonitrile
CID 80918875
3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile
CID 62981428
4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
CID 62983495
3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
CID 80648145
2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile
CID 62002258
3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]benzonitrile
CID 80904964

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile?
The IUPAC name of 3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile (CID 62983159) is 3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile.
What is the SMILES notation for 3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile?
The canonical SMILES for 3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile is CN(c1cccc(C#N)c1)c1ncccc1N.
What is the InChIKey of 3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile?
The InChIKey is VHTZFKWXIHCIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-17(13-12(15)6-3-7-16-13)11-5-2-4-10(8-11)9-14/h2-8H,15H2,1H3.
What are the key properties of 3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile?
3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile is sourced from PubChem (CID 62983159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).