3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile

C14H14N4 — CID 83266542

IUPAC3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
SMILESCc1cnc(Nc2cc(C#N)ccc2C)cc1N
InChIInChI=1S/C14H14N4/c1-9-3-4-11(7-15)5-13(9)18-14-6-12(16)10(2)8-17-14/h3-6,8H,1-2H3,(H3,16,17,18)
InChIKeyJFUVLMGGRWMSNE-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.90
Rot. Bonds2

About 3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile

3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile (PubChem CID 83266542) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
PubChem CID83266542
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
SMILESCc1cnc(Nc2cc(C#N)ccc2C)cc1N
InChIInChI=1S/C14H14N4/c1-9-3-4-11(7-15)5-13(9)18-14-6-12(16)10(2)8-17-14/h3-6,8H,1-2H3,(H3,16,17,18)
InChIKeyJFUVLMGGRWMSNE-UHFFFAOYSA-N
XLogP2.90
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-5-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807041
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile
CID 83266611
8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 70958008
3-[(5-aminopyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 79917359
3-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80908717
6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane
CID 143918294
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
CID 62103720
4-amino-3-(2,5-dimethylanilino)benzonitrile
CID 104711457
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile
CID 107787129
3-[(6-chloropyridazin-3-yl)amino]-4-methylbenzonitrile
CID 62105253
5-(5-cyano-2-methylanilino)pyridine-2-carbonitrile
CID 115487650
3-(2-amino-5-bromoanilino)-4-methylbenzonitrile
CID 65342835

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile?
The IUPAC name of 3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile (CID 83266542) is 3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile?
The canonical SMILES for 3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile is Cc1cnc(Nc2cc(C#N)ccc2C)cc1N.
What is the InChIKey of 3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile?
The InChIKey is JFUVLMGGRWMSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-3-4-11(7-15)5-13(9)18-14-6-12(16)10(2)8-17-14/h3-6,8H,1-2H3,(H3,16,17,18).
What are the key properties of 3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile?
3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile is sourced from PubChem (CID 83266542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).