2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile

C16H13N3O — CID 107927968

IUPAC2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1Nc1ccc(C)cc1C#N
InChIInChI=1S/C16H13N3O/c1-11-6-7-14(13(8-11)10-18)19-16-12(9-17)4-3-5-15(16)20-2/h3-8,19H,1-2H3
InChIKeyIIAMTZYJTOISBQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.49
Rot. Bonds3

About 2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile

2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile (PubChem CID 107927968) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile
PubChem CID107927968
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1Nc1ccc(C)cc1C#N
InChIInChI=1S/C16H13N3O/c1-11-6-7-14(13(8-11)10-18)19-16-12(9-17)4-3-5-15(16)20-2/h3-8,19H,1-2H3
InChIKeyIIAMTZYJTOISBQ-UHFFFAOYSA-N
XLogP3.49
TPSA68.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile
CID 155289999
2-(2-aminoanilino)-3-methoxybenzonitrile
CID 107466495
2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile
CID 107926886
2-(4-amino-3-methylanilino)-3-methoxybenzonitrile
CID 107466454
5-methyl-2-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 107927707
2-(2-amino-3-chloroanilino)-3-methoxybenzonitrile
CID 107466457
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-[(2-chloro-6-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107927942
2-(4-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107107135
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
2-(4-chloro-2-methoxy-5-methylanilino)-3-methylbenzonitrile
CID 107106284
2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile
CID 107106329

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile?
The IUPAC name of 2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile (CID 107927968) is 2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile.
What is the SMILES notation for 2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile?
The canonical SMILES for 2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile is COc1cccc(C#N)c1Nc1ccc(C)cc1C#N.
What is the InChIKey of 2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile?
The InChIKey is IIAMTZYJTOISBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-6-7-14(13(8-11)10-18)19-16-12(9-17)4-3-5-15(16)20-2/h3-8,19H,1-2H3.
What are the key properties of 2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile?
2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile is sourced from PubChem (CID 107927968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).