2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile

C15H16N4 — CID 114770295

IUPAC2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC(C)c2ccccc2N)n1
InChIInChI=1S/C15H16N4/c1-10-7-12(9-16)8-15(18-10)19-11(2)13-5-3-4-6-14(13)17/h3-8,11H,17H2,1-2H3,(H,18,19)
InChIKeyFBHHRRWTOQWZHD-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.02
Rot. Bonds3

About 2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile

2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 114770295) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
PubChem CID114770295
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC(C)c2ccccc2N)n1
InChIInChI=1S/C15H16N4/c1-10-7-12(9-16)8-15(18-10)19-11(2)13-5-3-4-6-14(13)17/h3-8,11H,17H2,1-2H3,(H,18,19)
InChIKeyFBHHRRWTOQWZHD-UHFFFAOYSA-N
XLogP3.02
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114766018
2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60871389
2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766702
2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770092
4-[1-(2-aminophenyl)ethylamino]-3-fluorobenzonitrile
CID 60871577
2-[1-(2-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62308355
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 114765995
N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine
CID 106550314
4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile
CID 55151861
2-methyl-6-(pyrrol-1-ylamino)pyridine-4-carbonitrile
CID 114769768
2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114767407

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile (CID 114770295) is 2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NC(C)c2ccccc2N)n1.
What is the InChIKey of 2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is FBHHRRWTOQWZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-7-12(9-16)8-15(18-10)19-11(2)13-5-3-4-6-14(13)17/h3-8,11H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114770295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).