4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile

C22H15N3O — CID 45484993

IUPAC4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(/C=C/c2ccccc2)c1Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C22H15N3O/c23-13-19-15-24-14-18(7-6-16-4-2-1-3-5-16)22(19)26-20-8-9-21-17(12-20)10-11-25-21/h1-12,14-15,25H/b7-6+
InChIKeyIMMBFBPNPIRCBR-VOTSOKGWSA-N
MW337.38 g/mol
LogP5.40
Rot. Bonds4

About 4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile

4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (PubChem CID 45484993) has the molecular formula C22H15N3O and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
PubChem CID45484993
Molecular FormulaC22H15N3O
Molecular Weight337.38 g/mol
Exact Mass337.12
IUPAC Name4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(/C=C/c2ccccc2)c1Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C22H15N3O/c23-13-19-15-24-14-18(7-6-16-4-2-1-3-5-16)22(19)26-20-8-9-21-17(12-20)10-11-25-21/h1-12,14-15,25H/b7-6+
InChIKeyIMMBFBPNPIRCBR-VOTSOKGWSA-N
XLogP5.40
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.38
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (CID 45484993) is 4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is N#Cc1cncc(/C=C/c2ccccc2)c1Oc1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The InChIKey is IMMBFBPNPIRCBR-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H15N3O/c23-13-19-15-24-14-18(7-6-16-4-2-1-3-5-16)22(19)26-20-8-9-21-17(12-20)10-11-25-21/h1-12,14-15,25H/b7-6+.
What are the key properties of 4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yloxy)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 45484993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).