5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile

C21H19N3O2 — CID 24858083

IUPAC5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H19N3O2/c1-14-4-7-17(8-5-14)24-21-16(11-22)12-23-13-18(21)15-6-9-19(25-2)20(10-15)26-3/h4-10,12-13H,1-3H3,(H,23,24)
InChIKeyYUFIFAUYKWSYQB-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.69
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile

5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile (PubChem CID 24858083) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile
PubChem CID24858083
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H19N3O2/c1-14-4-7-17(8-5-14)24-21-16(11-22)12-23-13-18(21)15-6-9-19(25-2)20(10-15)26-3/h4-10,12-13H,1-3H3,(H,23,24)
InChIKeyYUFIFAUYKWSYQB-UHFFFAOYSA-N
XLogP4.69
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328844
4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-[(3-Aminophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328848
4-{[3-(Dimethylamino)phenyl]amino}-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328849
4-(3-Hydroxyphenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
6,7-Dimethoxy-4-[(4-methylphenyl)amino]quinoline-3-carbonitrile
CID 5328854
6,7-Dimethoxy-4-[(5-methoxy-2,4-dimethylphenyl)amino]quinoline-3-carbonitrile
CID 5328927
RG 13022
CID 5468216
4-((1H-Indol-5-YL)amino)-5-(3,4-dimethoxyphenyl)nicotinonitrile
CID 24770517
4-[(2,4-Dichlorophenyl)amino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
CID 24858240
4-[(3-Bromophenyl)amino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
CID 24858411

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile (CID 24858083) is 5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile?
The InChIKey is YUFIFAUYKWSYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-4-7-17(8-5-14)24-21-16(11-22)12-23-13-18(21)15-6-9-19(25-2)20(10-15)26-3/h4-10,12-13H,1-3H3,(H,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile?
5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile has a molecular weight of 345.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-(4-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 24858083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).