2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine

C25H28N4O2 — CID 143202826

IUPAC2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine
SMILESCCOc1c(NCCc2c[nH]c3cc(OC)ccc23)ccc(Nc2ccncc2)c1C
InChIInChI=1S/C25H28N4O2/c1-4-31-25-17(2)22(29-19-10-12-26-13-11-19)7-8-23(25)27-14-9-18-16-28-24-15-20(30-3)5-6-21(18)24/h5-8,10-13,15-16,27-28H,4,9,14H2,1-3H3,(H,26,29)
InChIKeyZUOSSWRUVVUIJV-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.68
Rot. Bonds9

About 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine

2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine (PubChem CID 143202826) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine
PubChem CID143202826
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine
SMILESCCOc1c(NCCc2c[nH]c3cc(OC)ccc23)ccc(Nc2ccncc2)c1C
InChIInChI=1S/C25H28N4O2/c1-4-31-25-17(2)22(29-19-10-12-26-13-11-19)7-8-23(25)27-14-9-18-16-28-24-15-20(30-3)5-6-21(18)24/h5-8,10-13,15-16,27-28H,4,9,14H2,1-3H3,(H,26,29)
InChIKeyZUOSSWRUVVUIJV-UHFFFAOYSA-N
XLogP5.68
TPSA71.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine
CID 59555779
1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 143202760
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
CID 110432899
2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine
CID 53317887
6-methoxy-3-(3-methylpentyl)-1H-indole
CID 156642145
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
CID 19837016
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine
CID 17053018
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
4-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 87237325
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
CID 133360584

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine?
The IUPAC name of 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine (CID 143202826) is 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine is CCOc1c(NCCc2c[nH]c3cc(OC)ccc23)ccc(Nc2ccncc2)c1C.
What is the InChIKey of 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine?
The InChIKey is ZUOSSWRUVVUIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-4-31-25-17(2)22(29-19-10-12-26-13-11-19)7-8-23(25)27-14-9-18-16-28-24-15-20(30-3)5-6-21(18)24/h5-8,10-13,15-16,27-28H,4,9,14H2,1-3H3,(H,26,29).
What are the key properties of 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine?
2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine has a molecular weight of 416.53 g/mol, XLogP of 5.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 143202826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).