6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile

C21H20N4 — CID 18288124

IUPAC6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile
SMILESCCc1cccc2c(C3=CCN(c4ccc(C#N)cn4)CC3)c[nH]c12
InChIInChI=1S/C21H20N4/c1-2-16-4-3-5-18-19(14-24-21(16)18)17-8-10-25(11-9-17)20-7-6-15(12-22)13-23-20/h3-8,13-14,24H,2,9-11H2,1H3
InChIKeyRAJDQDBEKVHELI-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.29
Rot. Bonds3

About 6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile

6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile (PubChem CID 18288124) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile
PubChem CID18288124
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile
SMILESCCc1cccc2c(C3=CCN(c4ccc(C#N)cn4)CC3)c[nH]c12
InChIInChI=1S/C21H20N4/c1-2-16-4-3-5-18-19(14-24-21(16)18)17-8-10-25(11-9-17)20-7-6-15(12-22)13-23-20/h3-8,13-14,24H,2,9-11H2,1H3
InChIKeyRAJDQDBEKVHELI-UHFFFAOYSA-N
XLogP4.29
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile (CID 18288124) is 6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile is CCc1cccc2c(C3=CCN(c4ccc(C#N)cn4)CC3)c[nH]c12.
What is the InChIKey of 6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RAJDQDBEKVHELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-2-16-4-3-5-18-19(14-24-21(16)18)17-8-10-25(11-9-17)20-7-6-15(12-22)13-23-20/h3-8,13-14,24H,2,9-11H2,1H3.
What are the key properties of 6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile?
6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 18288124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).