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

C24H22N4O3 — CID 24865071

IUPAC4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
SMILESCOCCOc1cc(-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)ccc1OC
InChIInChI=1S/C24H22N4O3/c1-29-10-11-31-23-12-16(6-7-22(23)30-2)19-15-26-14-17(13-25)24(19)28-21-5-3-4-20-18(21)8-9-27-20/h3-9,12,14-15,27H,10-11H2,1-2H3,(H,26,28)
InChIKeyOQGXWJUPOQZCMP-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.88
Rot. Bonds8

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

4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 24865071) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID24865071
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
SMILESCOCCOc1cc(-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)ccc1OC
InChIInChI=1S/C24H22N4O3/c1-29-10-11-31-23-12-16(6-7-22(23)30-2)19-15-26-14-17(13-25)24(19)28-21-5-3-4-20-18(21)8-9-27-20/h3-9,12,14-15,27H,10-11H2,1-2H3,(H,26,28)
InChIKeyOQGXWJUPOQZCMP-UHFFFAOYSA-N
XLogP4.88
TPSA92.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile (CID 24865071) is 4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile is COCCOc1cc(-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)ccc1OC.
What is the InChIKey of 4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is OQGXWJUPOQZCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-29-10-11-31-23-12-16(6-7-22(23)30-2)19-15-26-14-17(13-25)24(19)28-21-5-3-4-20-18(21)8-9-27-20/h3-9,12,14-15,27H,10-11H2,1-2H3,(H,26,28).
What are the key properties of 4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 414.47 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 24865071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).