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

C24H22N4O2 — CID 44573899

IUPAC5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCCc1c(Nc2c(C#N)cncc2-c2ccc(OC)c(OC)c2)ccc2[nH]ccc12
InChIInChI=1S/C24H22N4O2/c1-4-17-18-9-10-27-20(18)6-7-21(17)28-24-16(12-25)13-26-14-19(24)15-5-8-22(29-2)23(11-15)30-3/h5-11,13-14,27H,4H2,1-3H3,(H,26,28)
InChIKeyUHVOJNPWRWKQSP-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.42
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 44573899) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID44573899
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCCc1c(Nc2c(C#N)cncc2-c2ccc(OC)c(OC)c2)ccc2[nH]ccc12
InChIInChI=1S/C24H22N4O2/c1-4-17-18-9-10-27-20(18)6-7-21(17)28-24-16(12-25)13-26-14-19(24)15-5-8-22(29-2)23(11-15)30-3/h5-11,13-14,27H,4H2,1-3H3,(H,26,28)
InChIKeyUHVOJNPWRWKQSP-UHFFFAOYSA-N
XLogP5.42
TPSA82.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 44573899) is 5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is CCc1c(Nc2c(C#N)cncc2-c2ccc(OC)c(OC)c2)ccc2[nH]ccc12.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is UHVOJNPWRWKQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-4-17-18-9-10-27-20(18)6-7-21(17)28-24-16(12-25)13-26-14-19(24)15-5-8-22(29-2)23(11-15)30-3/h5-11,13-14,27H,4H2,1-3H3,(H,26,28).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 44573899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).