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

C23H20N4O2 — CID 44573871

IUPAC5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2N(C)c2ccc3[nH]ccc3c2)cc1OC
InChIInChI=1S/C23H20N4O2/c1-27(18-5-6-20-16(10-18)8-9-26-20)23-17(12-24)13-25-14-19(23)15-4-7-21(28-2)22(11-15)29-3/h4-11,13-14,26H,1-3H3
InChIKeyCVSDICVDRQROSJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.89
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile (PubChem CID 44573871) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile
PubChem CID44573871
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2N(C)c2ccc3[nH]ccc3c2)cc1OC
InChIInChI=1S/C23H20N4O2/c1-27(18-5-6-20-16(10-18)8-9-26-20)23-17(12-24)13-25-14-19(23)15-4-7-21(28-2)22(11-15)29-3/h4-11,13-14,26H,1-3H3
InChIKeyCVSDICVDRQROSJ-UHFFFAOYSA-N
XLogP4.89
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile (CID 44573871) is 5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2N(C)c2ccc3[nH]ccc3c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile?
The InChIKey is CVSDICVDRQROSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27(18-5-6-20-16(10-18)8-9-26-20)23-17(12-24)13-25-14-19(23)15-4-7-21(28-2)22(11-15)29-3/h4-11,13-14,26H,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile?
5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile has a molecular weight of 384.44 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-[1H-indol-5-yl(methyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 44573871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).