4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile

C23H20N4O2 — CID 24865433

IUPAC4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
SMILESCOCCOc1cccc(-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)c1
InChIInChI=1S/C23H20N4O2/c1-28-10-11-29-18-5-2-4-16(12-18)20-15-25-14-17(13-24)23(20)27-22-7-3-6-21-19(22)8-9-26-21/h2-9,12,14-15,26H,10-11H2,1H3,(H,25,27)
InChIKeyOVMXFSZIFQUQRH-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.87
Rot. Bonds7

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

4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 24865433) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID24865433
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
SMILESCOCCOc1cccc(-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)c1
InChIInChI=1S/C23H20N4O2/c1-28-10-11-29-18-5-2-4-16(12-18)20-15-25-14-17(13-24)23(20)27-22-7-3-6-21-19(22)8-9-26-21/h2-9,12,14-15,26H,10-11H2,1H3,(H,25,27)
InChIKeyOVMXFSZIFQUQRH-UHFFFAOYSA-N
XLogP4.87
TPSA82.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile (CID 24865433) is 4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile is COCCOc1cccc(-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)c1.
What is the InChIKey of 4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is OVMXFSZIFQUQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-28-10-11-29-18-5-2-4-16(12-18)20-15-25-14-17(13-24)23(20)27-22-7-3-6-21-19(22)8-9-26-21/h2-9,12,14-15,26H,10-11H2,1H3,(H,25,27).
What are the key properties of 4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 384.44 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-ylamino)-5-[3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 24865433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).