methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate

C25H24N2O3 — CID 69097192

IUPACmethyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCCOc1cc2[nH]c(-c3ccccc3)c(Cc3cccc(C(=O)OC)n3)c2cc1C
InChIInChI=1S/C25H24N2O3/c1-4-30-23-15-22-19(13-16(23)2)20(24(27-22)17-9-6-5-7-10-17)14-18-11-8-12-21(26-18)25(28)29-3/h5-13,15,27H,4,14H2,1-3H3
InChIKeyOMGVUZPYRNVBJV-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.31
Rot. Bonds6

About methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate

methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate (PubChem CID 69097192) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
PubChem CID69097192
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Namemethyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCCOc1cc2[nH]c(-c3ccccc3)c(Cc3cccc(C(=O)OC)n3)c2cc1C
InChIInChI=1S/C25H24N2O3/c1-4-30-23-15-22-19(13-16(23)2)20(24(27-22)17-9-6-5-7-10-17)14-18-11-8-12-21(26-18)25(28)29-3/h5-13,15,27H,4,14H2,1-3H3
InChIKeyOMGVUZPYRNVBJV-UHFFFAOYSA-N
XLogP5.31
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 68755403
methyl 6-[(6-ethoxy-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097186
6-[(2-tert-butyl-6-ethoxy-5-methyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097254
methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097172
methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
CID 69097132
6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]methanol
CID 86703303
3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 136601943
methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097116
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
CID 86703304

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate (CID 69097192) is methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate is CCOc1cc2[nH]c(-c3ccccc3)c(Cc3cccc(C(=O)OC)n3)c2cc1C.
What is the InChIKey of methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The InChIKey is OMGVUZPYRNVBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-4-30-23-15-22-19(13-16(23)2)20(24(27-22)17-9-6-5-7-10-17)14-18-11-8-12-21(26-18)25(28)29-3/h5-13,15,27H,4,14H2,1-3H3.
What are the key properties of methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate has a molecular weight of 400.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 69097192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).