4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile

C24H22N4O3 — CID 24865257

IUPAC4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
SMILESCOCCOc1ccc(-c2cncc(C#N)c2Nc2ccc3cc[nH]c3c2)cc1OC
InChIInChI=1S/C24H22N4O3/c1-29-9-10-31-22-6-4-17(11-23(22)30-2)20-15-26-14-18(13-25)24(20)28-19-5-3-16-7-8-27-21(16)12-19/h3-8,11-12,14-15,27H,9-10H2,1-2H3,(H,26,28)
InChIKeyYAFRCXYTUBXBTD-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.88
Rot. Bonds8

About 4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile

4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 24865257) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID24865257
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
SMILESCOCCOc1ccc(-c2cncc(C#N)c2Nc2ccc3cc[nH]c3c2)cc1OC
InChIInChI=1S/C24H22N4O3/c1-29-9-10-31-22-6-4-17(11-23(22)30-2)20-15-26-14-18(13-25)24(20)28-19-5-3-16-7-8-27-21(16)12-19/h3-8,11-12,14-15,27H,9-10H2,1-2H3,(H,26,28)
InChIKeyYAFRCXYTUBXBTD-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-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile (CID 24865257) is 4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile is COCCOc1ccc(-c2cncc(C#N)c2Nc2ccc3cc[nH]c3c2)cc1OC.
What is the InChIKey of 4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is YAFRCXYTUBXBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-29-9-10-31-22-6-4-17(11-23(22)30-2)20-15-26-14-18(13-25)24(20)28-19-5-3-16-7-8-27-21(16)12-19/h3-8,11-12,14-15,27H,9-10H2,1-2H3,(H,26,28).
What are the key properties of 4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile?
4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(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-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 24865257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).