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

C22H18N4O — CID 44574310

IUPAC5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
InChIInChI=1S/C22H18N4O/c1-14-18-8-9-25-21(18)7-6-20(14)26-22-16(11-23)12-24-13-19(22)15-4-3-5-17(10-15)27-2/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyDVHIIOLZYZNPJG-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.16
Rot. Bonds4

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

5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 44574310) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID44574310
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
InChIInChI=1S/C22H18N4O/c1-14-18-8-9-25-21(18)7-6-20(14)26-22-16(11-23)12-24-13-19(22)15-4-3-5-17(10-15)27-2/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyDVHIIOLZYZNPJG-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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 44574310) is 5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is COc1cccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is DVHIIOLZYZNPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14-18-8-9-25-21(18)7-6-20(14)26-22-16(11-23)12-24-13-19(22)15-4-3-5-17(10-15)27-2/h3-10,12-13,25H,1-2H3,(H,24,26).
What are the key properties of 5-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-(3-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-(3-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 44574310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).