1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine

C22H22N4 — CID 59555658

IUPAC1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
SMILESc1ccc2c(CCNc3ccc(NCc4ccncc4)cc3)c[nH]c2c1
InChIInChI=1S/C22H22N4/c1-2-4-22-21(3-1)18(16-26-22)11-14-24-19-5-7-20(8-6-19)25-15-17-9-12-23-13-10-17/h1-10,12-13,16,24-26H,11,14-15H2
InChIKeyNODATAMFJOPHBZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.83
Rot. Bonds7

About 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine

1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine (PubChem CID 59555658) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
PubChem CID59555658
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
SMILESc1ccc2c(CCNc3ccc(NCc4ccncc4)cc3)c[nH]c2c1
InChIInChI=1S/C22H22N4/c1-2-4-22-21(3-1)18(16-26-22)11-14-24-19-5-7-20(8-6-19)25-15-17-9-12-23-13-10-17/h1-10,12-13,16,24-26H,11,14-15H2
InChIKeyNODATAMFJOPHBZ-UHFFFAOYSA-N
XLogP4.83
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
CID 59555813
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919733
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146
N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109187851
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
ethane-1,2-diamine;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;platinum
CID 142609872
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzene-1,4-diamine
CID 59555595
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
CID 44665134

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine (CID 59555658) is 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine is c1ccc2c(CCNc3ccc(NCc4ccncc4)cc3)c[nH]c2c1.
What is the InChIKey of 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine?
The InChIKey is NODATAMFJOPHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-2-4-22-21(3-1)18(16-26-22)11-14-24-19-5-7-20(8-6-19)25-15-17-9-12-23-13-10-17/h1-10,12-13,16,24-26H,11,14-15H2.
What are the key properties of 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine?
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine has a molecular weight of 342.45 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 59555658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).