5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C22H18N4O — CID 44574311

IUPAC5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccccc1-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
InChIInChI=1S/C22H18N4O/c1-14-16-9-10-25-20(16)8-7-19(14)26-22-15(11-23)12-24-13-18(22)17-5-3-4-6-21(17)27-2/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyNJADSZALPMCYLV-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.16
Rot. Bonds4

About 5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 44574311) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID44574311
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccccc1-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
InChIInChI=1S/C22H18N4O/c1-14-16-9-10-25-20(16)8-7-19(14)26-22-15(11-23)12-24-13-18(22)17-5-3-4-6-21(17)27-2/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyNJADSZALPMCYLV-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-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 44574311) is 5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is COc1ccccc1-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C.
What is the InChIKey of 5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is NJADSZALPMCYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14-16-9-10-25-20(16)8-7-19(14)26-22-15(11-23)12-24-13-18(22)17-5-3-4-6-21(17)27-2/h3-10,12-13,25H,1-2H3,(H,24,26).
What are the key properties of 5-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-(2-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-(2-methoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 44574311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).