3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile

C22H15N3O2 — CID 69193797

IUPAC3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile
SMILESCOc1cc(C(=O)c2cc(C#N)cc(-c3cccc4[nH]ccc34)c2)ccn1
InChIInChI=1S/C22H15N3O2/c1-27-21-12-15(5-7-25-21)22(26)17-10-14(13-23)9-16(11-17)18-3-2-4-20-19(18)6-8-24-20/h2-12,24H,1H3
InChIKeyLXWDHZOBZOJNTB-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.34
Rot. Bonds4

About 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile

3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile (PubChem CID 69193797) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile
PubChem CID69193797
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile
SMILESCOc1cc(C(=O)c2cc(C#N)cc(-c3cccc4[nH]ccc34)c2)ccn1
InChIInChI=1S/C22H15N3O2/c1-27-21-12-15(5-7-25-21)22(26)17-10-14(13-23)9-16(11-17)18-3-2-4-20-19(18)6-8-24-20/h2-12,24H,1H3
InChIKeyLXWDHZOBZOJNTB-UHFFFAOYSA-N
XLogP4.34
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile 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 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile?
The IUPAC name of 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile (CID 69193797) is 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile.
What is the SMILES notation for 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile?
The canonical SMILES for 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile is COc1cc(C(=O)c2cc(C#N)cc(-c3cccc4[nH]ccc34)c2)ccn1.
What is the InChIKey of 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile?
The InChIKey is LXWDHZOBZOJNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c1-27-21-12-15(5-7-25-21)22(26)17-10-14(13-23)9-16(11-17)18-3-2-4-20-19(18)6-8-24-20/h2-12,24H,1H3.
What are the key properties of 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile?
3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile has a molecular weight of 353.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile is sourced from PubChem (CID 69193797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).