2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile

C21H18N4O — CID 70125868

IUPAC2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)CCN4)nc(N)c2C#N)cc1
InChIInChI=1S/C21H18N4O/c1-26-16-5-2-13(3-6-16)17-11-20(25-21(23)18(17)12-22)14-4-7-19-15(10-14)8-9-24-19/h2-7,10-11,24H,8-9H2,1H3,(H2,23,25)
InChIKeyABWVXFVNHUKQEK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.85
Rot. Bonds3

About 2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 70125868) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID70125868
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)CCN4)nc(N)c2C#N)cc1
InChIInChI=1S/C21H18N4O/c1-26-16-5-2-13(3-6-16)17-11-20(25-21(23)18(17)12-22)14-4-7-19-15(10-14)8-9-24-19/h2-7,10-11,24H,8-9H2,1H3,(H2,23,25)
InChIKeyABWVXFVNHUKQEK-UHFFFAOYSA-N
XLogP3.85
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 70125868) is 2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc4c(c3)CCN4)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is ABWVXFVNHUKQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-26-16-5-2-13(3-6-16)17-11-20(25-21(23)18(17)12-22)14-4-7-19-15(10-14)8-9-24-19/h2-7,10-11,24H,8-9H2,1H3,(H2,23,25).
What are the key properties of 2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 342.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 70125868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).