(E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide

C30H34N4O — CID 145100169

IUPAC(E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCN(CCc1c[nH]c2ccccc12)Cc1ccc(CCCNC(=O)/C=C/c2cccnc2)cc1
InChIInChI=1S/C30H34N4O/c1-2-34(20-17-27-22-33-29-10-4-3-9-28(27)29)23-26-13-11-24(12-14-26)7-6-19-32-30(35)16-15-25-8-5-18-31-21-25/h3-5,8-16,18,21-22,33H,2,6-7,17,19-20,23H2,1H3,(H,32,35)/b16-15+
InChIKeyQGUPDZGQUUWXHT-FOCLMDBBSA-N
MW466.63 g/mol
LogP5.39
Rot. Bonds12

About (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 145100169) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID145100169
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC Name(E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCN(CCc1c[nH]c2ccccc12)Cc1ccc(CCCNC(=O)/C=C/c2cccnc2)cc1
InChIInChI=1S/C30H34N4O/c1-2-34(20-17-27-22-33-29-10-4-3-9-28(27)29)23-26-13-11-24(12-14-26)7-6-19-32-30(35)16-15-25-8-5-18-31-21-25/h3-5,8-16,18,21-22,33H,2,6-7,17,19-20,23H2,1H3,(H,32,35)/b16-15+
InChIKeyQGUPDZGQUUWXHT-FOCLMDBBSA-N
XLogP5.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide with MolForge

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Related Compounds

(E)-N-[5-[4-[2-[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]ethyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 145100142
(E)-N-[5-[4-[[1H-indol-3-ylmethyl(propan-2-yl)amino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 145100137
(E)-N-[4-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenoxy]butyl]-3-pyridin-3-ylprop-2-enamide
CID 145100168
(E)-N-[5-[4-[[propan-2-yl-[2-[6-(trifluoromethyl)-1H-indol-3-yl]ethyl]amino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 145100165
ethane;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide
CID 90853890
(E)-N-[5-[4-[[2-(2-methoxyphenyl)ethyl-propan-2-ylamino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 145100156
(E)-3-[4-[[acetyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579514
2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl N-[2-(1H-indol-3-yl)ethyl]carbamate
CID 20579304
(E)-3-[4-[[ethyl-[2-(1H-indol-4-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150331
4-[2-(1H-indol-3-yl)ethyl-[[4-[(E)-4-methyl-3-oxopent-1-enyl]phenyl]methyl]amino]-N-methylbutanamide
CID 142124083
(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 66595400
(E)-N-hydroxy-3-[4-[[2-hydroxyethyl(1H-indol-3-ylmethyl)amino]methyl]phenyl]prop-2-enamide
CID 20579430

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide (CID 145100169) is (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide is CCN(CCc1c[nH]c2ccccc12)Cc1ccc(CCCNC(=O)/C=C/c2cccnc2)cc1.
What is the InChIKey of (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is QGUPDZGQUUWXHT-FOCLMDBBSA-N. The full InChI is InChI=1S/C30H34N4O/c1-2-34(20-17-27-22-33-29-10-4-3-9-28(27)29)23-26-13-11-24(12-14-26)7-6-19-32-30(35)16-15-25-8-5-18-31-21-25/h3-5,8-16,18,21-22,33H,2,6-7,17,19-20,23H2,1H3,(H,32,35)/b16-15+.
What are the key properties of (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 466.63 g/mol, XLogP of 5.39, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[4-[[ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]propyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 145100169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).