methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate

C16H18N2O2 — CID 14973214

IUPACmethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
InChIInChI=1S/C16H18N2O2/c1-18-7-5-11(6-8-18)14-10-17-15-4-3-12(9-13(14)15)16(19)20-2/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyITMSGLVTHCULLT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.67
Rot. Bonds2

About methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate

methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate (PubChem CID 14973214) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate
PubChem CID14973214
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
InChIInChI=1S/C16H18N2O2/c1-18-7-5-11(6-8-18)14-10-17-15-4-3-12(9-13(14)15)16(19)20-2/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyITMSGLVTHCULLT-UHFFFAOYSA-N
XLogP2.67
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
The IUPAC name of methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate (CID 14973214) is methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
The canonical SMILES for methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.
What is the InChIKey of methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
The InChIKey is ITMSGLVTHCULLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18-7-5-11(6-8-18)14-10-17-15-4-3-12(9-13(14)15)16(19)20-2/h3-5,9-10,17H,6-8H2,1-2H3.
What are the key properties of methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate is sourced from PubChem (CID 14973214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).