6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine

C29H35N3O2 — CID 14873569

IUPAC6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine
SMILESCOc1ccc(-c2c(C)c3cc(OC)ccc3n2CCCCCCNCc2ccccn2)cc1
InChIInChI=1S/C29H35N3O2/c1-22-27-20-26(34-3)15-16-28(27)32(29(22)23-11-13-25(33-2)14-12-23)19-9-5-4-7-17-30-21-24-10-6-8-18-31-24/h6,8,10-16,18,20,30H,4-5,7,9,17,19,21H2,1-3H3
InChIKeySOUUVJDRSJDUCT-UHFFFAOYSA-N
MW457.62 g/mol
LogP6.38
Rot. Bonds12

About 6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine

6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine (PubChem CID 14873569) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine
PubChem CID14873569
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC Name6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine
SMILESCOc1ccc(-c2c(C)c3cc(OC)ccc3n2CCCCCCNCc2ccccn2)cc1
InChIInChI=1S/C29H35N3O2/c1-22-27-20-26(34-3)15-16-28(27)32(29(22)23-11-13-25(33-2)14-12-23)19-9-5-4-7-17-30-21-24-10-6-8-18-31-24/h6,8,10-16,18,20,30H,4-5,7,9,17,19,21H2,1-3H3
InChIKeySOUUVJDRSJDUCT-UHFFFAOYSA-N
XLogP6.38
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 56.38
H-Bond Donors ≤ 51
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 6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine?
The IUPAC name of 6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine (CID 14873569) is 6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine is COc1ccc(-c2c(C)c3cc(OC)ccc3n2CCCCCCNCc2ccccn2)cc1.
What is the InChIKey of 6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine?
The InChIKey is SOUUVJDRSJDUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-22-27-20-26(34-3)15-16-28(27)32(29(22)23-11-13-25(33-2)14-12-23)19-9-5-4-7-17-30-21-24-10-6-8-18-31-24/h6,8,10-16,18,20,30H,4-5,7,9,17,19,21H2,1-3H3.
What are the key properties of 6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine?
6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine has a molecular weight of 457.62 g/mol, XLogP of 6.38, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 14873569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).