methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate

C26H27N3O2 — CID 118597581

IUPACmethyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NCC1CCCc2cc(N3CCc4ccccc43)ccc21
InChIInChI=1S/C26H27N3O2/c1-31-26(30)23-11-13-27-17-24(23)28-16-20-7-4-6-19-15-21(9-10-22(19)20)29-14-12-18-5-2-3-8-25(18)29/h2-3,5,8-11,13,15,17,20,28H,4,6-7,12,14,16H2,1H3
InChIKeyIWVCVSSUKHDJSX-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.09
Rot. Bonds5

About methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate

methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate (PubChem CID 118597581) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
PubChem CID118597581
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Namemethyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NCC1CCCc2cc(N3CCc4ccccc43)ccc21
InChIInChI=1S/C26H27N3O2/c1-31-26(30)23-11-13-27-17-24(23)28-16-20-7-4-6-19-15-21(9-10-22(19)20)29-14-12-18-5-2-3-8-25(18)29/h2-3,5,8-11,13,15,17,20,28H,4,6-7,12,14,16H2,1H3
InChIKeyIWVCVSSUKHDJSX-UHFFFAOYSA-N
XLogP5.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate (CID 118597581) is methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate is COC(=O)c1ccncc1NCC1CCCc2cc(N3CCc4ccccc43)ccc21.
What is the InChIKey of methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate?
The InChIKey is IWVCVSSUKHDJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-31-26(30)23-11-13-27-17-24(23)28-16-20-7-4-6-19-15-21(9-10-22(19)20)29-14-12-18-5-2-3-8-25(18)29/h2-3,5,8-11,13,15,17,20,28H,4,6-7,12,14,16H2,1H3.
What are the key properties of methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate?
methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate has a molecular weight of 413.52 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 118597581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).