2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

C15H16N4 — CID 62500425

IUPAC2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2cccc(N)c2)n1
InChIInChI=1S/C15H16N4/c1-10-6-11(2)19-15(14(10)8-16)18-9-12-4-3-5-13(17)7-12/h3-7H,9,17H2,1-2H3,(H,18,19)
InChIKeyYKQVXPOISPSHLF-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.76
Rot. Bonds3

About 2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 62500425) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID62500425
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2cccc(N)c2)n1
InChIInChI=1S/C15H16N4/c1-10-6-11(2)19-15(14(10)8-16)18-9-12-4-3-5-13(17)7-12/h3-7H,9,17H2,1-2H3,(H,18,19)
InChIKeyYKQVXPOISPSHLF-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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-[[3-(diethylaminomethyl)phenyl]methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 78898863
2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60917666
2-[(3-amino-4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60971500
4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
CID 32677882
4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile
CID 60502637
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 63306269
2-N-benzyl-4,6-dimethylpyridine-2,3-diamine
CID 70993735
2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 103292554
4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 62845586
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 55026390
2-[(3-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 62500403
6-[(3-aminophenyl)methylamino]-4-methyl-1,3-benzothiazole-2-carbonitrile
CID 58427763

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 62500425) is 2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCc2cccc(N)c2)n1.
What is the InChIKey of 2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is YKQVXPOISPSHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-6-11(2)19-15(14(10)8-16)18-9-12-4-3-5-13(17)7-12/h3-7H,9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 62500425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).