3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile

C14H14N4 — CID 82817679

IUPAC3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
SMILESCc1ccc(Nc2nccc(C#N)c2N)cc1C
InChIInChI=1S/C14H14N4/c1-9-3-4-12(7-10(9)2)18-14-13(16)11(8-15)5-6-17-14/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyASBJFLFQMFHOEC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.90
Rot. Bonds2

About 3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile

3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile (PubChem CID 82817679) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
PubChem CID82817679
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
SMILESCc1ccc(Nc2nccc(C#N)c2N)cc1C
InChIInChI=1S/C14H14N4/c1-9-3-4-12(7-10(9)2)18-14-13(16)11(8-15)5-6-17-14/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyASBJFLFQMFHOEC-UHFFFAOYSA-N
XLogP2.90
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile (CID 82817679) is 3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile is Cc1ccc(Nc2nccc(C#N)c2N)cc1C.
What is the InChIKey of 3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile?
The InChIKey is ASBJFLFQMFHOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-3-4-12(7-10(9)2)18-14-13(16)11(8-15)5-6-17-14/h3-7H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile?
3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).