4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine

C24H25N3O — CID 3936271

IUPAC4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1ncccc1-c1[nH]c2ccc(-c3ccccc3)cc2c1CCCCN
InChIInChI=1S/C24H25N3O/c1-28-24-20(11-7-15-26-24)23-19(10-5-6-14-25)21-16-18(12-13-22(21)27-23)17-8-3-2-4-9-17/h2-4,7-9,11-13,15-16,27H,5-6,10,14,25H2,1H3
InChIKeyGIWGBDNPNKPPQE-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.19
Rot. Bonds7

About 4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine

4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine (PubChem CID 3936271) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
PubChem CID3936271
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1ncccc1-c1[nH]c2ccc(-c3ccccc3)cc2c1CCCCN
InChIInChI=1S/C24H25N3O/c1-28-24-20(11-7-15-26-24)23-19(10-5-6-14-25)21-16-18(12-13-22(21)27-23)17-8-3-2-4-9-17/h2-4,7-9,11-13,15-16,27H,5-6,10,14,25H2,1H3
InChIKeyGIWGBDNPNKPPQE-UHFFFAOYSA-N
XLogP5.19
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine (CID 3936271) is 4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine is COc1ncccc1-c1[nH]c2ccc(-c3ccccc3)cc2c1CCCCN.
What is the InChIKey of 4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is GIWGBDNPNKPPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-28-24-20(11-7-15-26-24)23-19(10-5-6-14-25)21-16-18(12-13-22(21)27-23)17-8-3-2-4-9-17/h2-4,7-9,11-13,15-16,27H,5-6,10,14,25H2,1H3.
What are the key properties of 4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine?
4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 371.48 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3936271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).