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

C22H16N4 — CID 45485012

IUPAC4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(/C=C/c2ccccc2)c1Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C22H16N4/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,(H,24,26)/b7-6+
InChIKeyGLBDOEWDGNREFF-VOTSOKGWSA-N
MW336.40 g/mol
LogP5.35
Rot. Bonds4

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

4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (PubChem CID 45485012) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
PubChem CID45485012
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(/C=C/c2ccccc2)c1Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C22H16N4/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,(H,24,26)/b7-6+
InChIKeyGLBDOEWDGNREFF-VOTSOKGWSA-N
XLogP5.35
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile (CID 45485012) is 4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is N#Cc1cncc(/C=C/c2ccccc2)c1Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
The InChIKey is GLBDOEWDGNREFF-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H16N4/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,(H,24,26)/b7-6+.
What are the key properties of 4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile?
4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-ylamino)-5-[(E)-2-phenylethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 45485012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).