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

C24H26N4O2 — CID 59555779

IUPAC2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine
SMILESCCOc1cc(Nc2ccncc2)ccc1NCCc1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C24H26N4O2/c1-3-30-24-14-19(28-18-9-11-25-12-10-18)4-7-22(24)26-13-8-17-16-27-23-15-20(29-2)5-6-21(17)23/h4-7,9-12,14-16,26-27H,3,8,13H2,1-2H3,(H,25,28)
InChIKeyAMTUIFTVVYRCSB-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.37
Rot. Bonds9

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

2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine (PubChem CID 59555779) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine
PubChem CID59555779
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine
SMILESCCOc1cc(Nc2ccncc2)ccc1NCCc1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C24H26N4O2/c1-3-30-24-14-19(28-18-9-11-25-12-10-18)4-7-22(24)26-13-8-17-16-27-23-15-20(29-2)5-6-21(17)23/h4-7,9-12,14-16,26-27H,3,8,13H2,1-2H3,(H,25,28)
InChIKeyAMTUIFTVVYRCSB-UHFFFAOYSA-N
XLogP5.37
TPSA71.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.37
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]-3-methyl-4-N-pyridin-4-ylbenzene-1,4-diamine
CID 143202826
1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 143202760
methyl 4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]pyridine-2-carboxylate
CID 59555814
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109215319
N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
CID 110432899
5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 1259485
1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
CID 59555722
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
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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine?
The IUPAC name of 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine (CID 59555779) is 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-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]-4-N-pyridin-4-ylbenzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine is CCOc1cc(Nc2ccncc2)ccc1NCCc1c[nH]c2cc(OC)ccc12.
What is the InChIKey of 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine?
The InChIKey is AMTUIFTVVYRCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-30-24-14-19(28-18-9-11-25-12-10-18)4-7-22(24)26-13-8-17-16-27-23-15-20(29-2)5-6-21(17)23/h4-7,9-12,14-16,26-27H,3,8,13H2,1-2H3,(H,25,28).
What are the key properties of 2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine?
2-ethoxy-1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine has a molecular weight of 402.50 g/mol, XLogP of 5.37, 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]-4-N-pyridin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 59555779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).