3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile

C14H14N4 — CID 82817206

IUPAC3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile
SMILESCCc1ccccc1Nc1nccc(C#N)c1N
InChIInChI=1S/C14H14N4/c1-2-10-5-3-4-6-12(10)18-14-13(16)11(9-15)7-8-17-14/h3-8H,2,16H2,1H3,(H,17,18)
InChIKeyVEBQVFBYQCVIHW-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.84
Rot. Bonds3

About 3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile

3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile (PubChem CID 82817206) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile
PubChem CID82817206
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile
SMILESCCc1ccccc1Nc1nccc(C#N)c1N
InChIInChI=1S/C14H14N4/c1-2-10-5-3-4-6-12(10)18-14-13(16)11(9-15)7-8-17-14/h3-8H,2,16H2,1H3,(H,17,18)
InChIKeyVEBQVFBYQCVIHW-UHFFFAOYSA-N
XLogP2.84
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-[(2-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816953
3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile
CID 82817204
3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 82816959
3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile
CID 82816909
3-bromo-N-(2-ethylphenyl)pyridin-2-amine
CID 55219347
3-amino-2-[4-(cyanomethyl)anilino]pyridine-4-carbonitrile
CID 82817545
3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
CID 82817077
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile (CID 82817206) is 3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile is CCc1ccccc1Nc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile?
The InChIKey is VEBQVFBYQCVIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-10-5-3-4-6-12(10)18-14-13(16)11(9-15)7-8-17-14/h3-8H,2,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile?
3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).