5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C23H20N4O3 — CID 44574269

IUPAC5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2OC)cc1OC
InChIInChI=1S/C23H20N4O3/c1-28-20-7-4-14(10-21(20)29-2)17-13-25-12-15(11-24)22(17)27-19-6-5-18-16(8-9-26-18)23(19)30-3/h4-10,12-13,26H,1-3H3,(H,25,27)
InChIKeyDMTWTBBJQAQFID-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.87
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile

5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 44574269) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID44574269
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2OC)cc1OC
InChIInChI=1S/C23H20N4O3/c1-28-20-7-4-14(10-21(20)29-2)17-13-25-12-15(11-24)22(17)27-19-6-5-18-16(8-9-26-18)23(19)30-3/h4-10,12-13,26H,1-3H3,(H,25,27)
InChIKeyDMTWTBBJQAQFID-UHFFFAOYSA-N
XLogP4.87
TPSA92.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 44574269) is 5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2OC)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is DMTWTBBJQAQFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-28-20-7-4-14(10-21(20)29-2)17-13-25-12-15(11-24)22(17)27-19-6-5-18-16(8-9-26-18)23(19)30-3/h4-10,12-13,26H,1-3H3,(H,25,27).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 400.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-[(4-methoxy-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 44574269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).