ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine

C30H31N5 — CID 143202823

IUPACethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine
SMILESC=C.Cc1cnccc1Cc1cnccc1Nc1ccc(NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H27N5.C2H4/c1-20-17-29-13-10-21(20)16-23-18-30-14-12-27(23)33-25-8-6-24(7-9-25)31-15-11-22-19-32-28-5-3-2-4-26(22)28;1-2/h2-10,12-14,17-19,31-32H,11,15-16H2,1H3,(H,30,33);1-2H2
InChIKeyDUIKHYFPNVTKFY-UHFFFAOYSA-N
MW461.61 g/mol
LogP7.06
Rot. Bonds8

About ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine

ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine (PubChem CID 143202823) has the molecular formula C30H31N5 and a molecular weight of 461.61 g/mol. Its IUPAC name is ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine.

Molecular Properties

Compound Nameethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine
PubChem CID143202823
Molecular FormulaC30H31N5
Molecular Weight461.61 g/mol
Exact Mass461.26
IUPAC Nameethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine
SMILESC=C.Cc1cnccc1Cc1cnccc1Nc1ccc(NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H27N5.C2H4/c1-20-17-29-13-10-21(20)16-23-18-30-14-12-27(23)33-25-8-6-24(7-9-25)31-15-11-22-19-32-28-5-3-2-4-26(22)28;1-2/h2-10,12-14,17-19,31-32H,11,15-16H2,1H3,(H,30,33);1-2H2
InChIKeyDUIKHYFPNVTKFY-UHFFFAOYSA-N
XLogP7.06
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 57.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-3-pyridinyl]-phenylmethanol
CID 59555714
2-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-3-pyridinyl]butanal
CID 143202737
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109400928
4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
CID 59555813
4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 59555711
1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
CID 59555722
2-(1H-indol-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671729
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112896693
2-N-(2,6-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896703
methyl 4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]pyridine-2-carboxylate
CID 59555814
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379

Frequently Asked Questions

What is the IUPAC name of ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine?
The IUPAC name of ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine (CID 143202823) is ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine.
What is the SMILES notation for ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine?
The canonical SMILES for ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine is C=C.Cc1cnccc1Cc1cnccc1Nc1ccc(NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine?
The InChIKey is DUIKHYFPNVTKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5.C2H4/c1-20-17-29-13-10-21(20)16-23-18-30-14-12-27(23)33-25-8-6-24(7-9-25)31-15-11-22-19-32-28-5-3-2-4-26(22)28;1-2/h2-10,12-14,17-19,31-32H,11,15-16H2,1H3,(H,30,33);1-2H2.
What are the key properties of ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine?
ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine has a molecular weight of 461.61 g/mol, XLogP of 7.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-N-[2-(1H-indol-3-yl)ethyl]-4-N-[3-[(3-methyl-4-pyridinyl)methyl]-4-pyridinyl]benzene-1,4-diamine is sourced from PubChem (CID 143202823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).