6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane

C16H19N3 — CID 143918294

IUPAC6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane
SMILESCC.Cc1ccc(C)c(Nc2ccc(C#N)cn2)c1
InChIInChI=1S/C14H13N3.C2H6/c1-10-3-4-11(2)13(7-10)17-14-6-5-12(8-15)9-16-14;1-2/h3-7,9H,1-2H3,(H,16,17);1-2H3
InChIKeyNBUSUGOUQBKAJT-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.34
Rot. Bonds2

About 6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane

6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane (PubChem CID 143918294) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane.

Molecular Properties

Compound Name6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane
PubChem CID143918294
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane
SMILESCC.Cc1ccc(C)c(Nc2ccc(C#N)cn2)c1
InChIInChI=1S/C14H13N3.C2H6/c1-10-3-4-11(2)13(7-10)17-14-6-5-12(8-15)9-16-14;1-2/h3-7,9H,1-2H3,(H,16,17);1-2H3
InChIKeyNBUSUGOUQBKAJT-UHFFFAOYSA-N
XLogP4.34
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile
CID 24697637
4-[[6-(2,5-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877401
3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
CID 83266542
5-(aminomethyl)-N-(2,5-dimethylphenyl)pyridin-2-amine
CID 82288074
6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
CID 82120847
4-[[5-(2,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112963206
4-amino-3-(2,5-dimethylanilino)benzonitrile
CID 104711457
5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190
6-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54953901
3-[(6-chloropyridazin-3-yl)amino]-4-methylbenzonitrile
CID 62105253
6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile
CID 86621532
6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile
CID 114260197

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane?
The IUPAC name of 6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane (CID 143918294) is 6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane.
What is the SMILES notation for 6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane?
The canonical SMILES for 6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane is CC.Cc1ccc(C)c(Nc2ccc(C#N)cn2)c1.
What is the InChIKey of 6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane?
The InChIKey is NBUSUGOUQBKAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.C2H6/c1-10-3-4-11(2)13(7-10)17-14-6-5-12(8-15)9-16-14;1-2/h3-7,9H,1-2H3,(H,16,17);1-2H3.
What are the key properties of 6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane?
6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane has a molecular weight of 253.35 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane is sourced from PubChem (CID 143918294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).