5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C22H18N4O — CID 44574273

IUPAC5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
InChIInChI=1S/C22H18N4O/c1-14-18-9-10-25-21(18)8-7-20(14)26-22-16(11-23)12-24-13-19(22)15-3-5-17(27-2)6-4-15/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyOHQBRPBJOMAGLO-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.16
Rot. Bonds4

About 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 44574273) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID44574273
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
InChIInChI=1S/C22H18N4O/c1-14-18-9-10-25-21(18)8-7-20(14)26-22-16(11-23)12-24-13-19(22)15-3-5-17(27-2)6-4-15/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyOHQBRPBJOMAGLO-UHFFFAOYSA-N
XLogP5.16
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 44574273) is 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is OHQBRPBJOMAGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14-18-9-10-25-21(18)8-7-20(14)26-22-16(11-23)12-24-13-19(22)15-3-5-17(27-2)6-4-15/h3-10,12-13,25H,1-2H3,(H,24,26).
What are the key properties of 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 44574273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).