ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate

C69H67N11O6 — CID 159049568

About ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate

ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate (PubChem CID 159049568) has the molecular formula C69H67N11O6 and a molecular weight of 1146.37 g/mol. Its IUPAC name is ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate.

Molecular Properties

• Compound Name: ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate
• PubChem CID: 159049568
• Molecular Formula: C69H67N11O6
• Molecular Weight: 1146.37 g/mol
• Exact Mass: 1145.53
• IUPAC Name: ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate
• SMILES: CCOC(=O)/C=C(/c1ccc2cc[nH]c2c1)c1ccccn1.CNCCC(c1ccc2cc[nH]c2c1)c1ccccn1.CNOC(=O)/C=C(/c1ccc2cc[nH]c2c1)c1ccccn1.CNOC(=O)CC(c1ccc2cc[nH]c2c1)c1ccccn1
• InChI: InChI=1S/C18H16N2O2.C17H17N3O2.C17H15N3O2.C17H19N3/c1-2-22-18(21)12-15(16-5-3-4-9-19-16)14-7-6-13-8-10-20-17(13)11-14;2*1-18-22-17(21)11-14(15-4-2-3-8-19-15)13-6-5-12-7-9-20-16(12)10-13;1-18-10-8-15(16-4-2-3-9-19-16)14-6-5-13-7-11-20-17(13)12-14/h3-12,20H,2H2,1H3;2-10,14,18,20H,11H2,1H3;2-11,18,20H,1H3;2-7,9,11-12,15,18,20H,8,10H2,1H3/b15-12-;;14-11-
• InChIKey: JXCBQVYCJINCSV-LZXMHWRDSA-N
• XLogP: 12.30
• TPSA: 229.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1146.37
LogP ≤ 5	12.30
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate?

The IUPAC name of ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate (CID 159049568) is ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate.

What is the SMILES notation for ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate?

The canonical SMILES for ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate is CCOC(=O)/C=C(/c1ccc2cc[nH]c2c1)c1ccccn1.CNCCC(c1ccc2cc[nH]c2c1)c1ccccn1.CNOC(=O)/C=C(/c1ccc2cc[nH]c2c1)c1ccccn1.CNOC(=O)CC(c1ccc2cc[nH]c2c1)c1ccccn1.

What is the InChIKey of ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate?

The InChIKey is JXCBQVYCJINCSV-LZXMHWRDSA-N. The full InChI is InChI=1S/C18H16N2O2.C17H17N3O2.C17H15N3O2.C17H19N3/c1-2-22-18(21)12-15(16-5-3-4-9-19-16)14-7-6-13-8-10-20-17(13)11-14;2*1-18-22-17(21)11-14(15-4-2-3-8-19-15)13-6-5-12-7-9-20-16(12)10-13;1-18-10-8-15(16-4-2-3-9-19-16)14-6-5-13-7-11-20-17(13)12-14/h3-12,20H,2H2,1H3;2-10,14,18,20H,11H2,1H3;2-11,18,20H,1H3;2-7,9,11-12,15,18,20H,8,10H2,1H3/b15-12-;;14-11-;.

What are the key properties of ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate?

ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate has a molecular weight of 1146.37 g/mol, XLogP of 12.30, 18 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate;3-(1H-indol-6-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine;methylamino 3-(1H-indol-6-yl)-3-pyridin-2-ylpropanoate;methylamino (Z)-3-(1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 159049568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).