2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile

C17H19N3 — CID 102449546

IUPAC2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCCCCNc1nccc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C17H19N3/c1-3-4-10-19-17-16(12-18)15(9-11-20-17)14-7-5-13(2)6-8-14/h5-9,11H,3-4,10H2,1-2H3,(H,19,20)
InChIKeyBJJQKYFGCQZZFY-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.14
Rot. Bonds5

About 2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile

2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 102449546) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID102449546
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCCCCNc1nccc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C17H19N3/c1-3-4-10-19-17-16(12-18)15(9-11-20-17)14-7-5-13(2)6-8-14/h5-9,11H,3-4,10H2,1-2H3,(H,19,20)
InChIKeyBJJQKYFGCQZZFY-UHFFFAOYSA-N
XLogP4.14
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941151
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
CID 104925639
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile
CID 134914335
3-(butylamino)-5-phenyl-1,2-thiazole-4-carbonitrile
CID 86278738
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
4-(4-methylphenyl)-2-methylsulfanyl-6-(propylamino)pyrimidine-5-carbonitrile
CID 7747033
2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 13359707
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
CID 104705443

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile (CID 102449546) is 2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile is CCCCNc1nccc(-c2ccc(C)cc2)c1C#N.
What is the InChIKey of 2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is BJJQKYFGCQZZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-4-10-19-17-16(12-18)15(9-11-20-17)14-7-5-13(2)6-8-14/h5-9,11H,3-4,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile?
2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 102449546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).