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

C17H20N2O2 — CID 14973215

IUPACethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)13-4-5-16-14(10-13)15(11-18-16)12-6-8-19(2)9-7-12/h4-6,10-11,18H,3,7-9H2,1-2H3
InChIKeyRQHWYXVTXSCHOR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds3

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

ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate (PubChem CID 14973215) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate
PubChem CID14973215
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)13-4-5-16-14(10-13)15(11-18-16)12-6-8-19(2)9-7-12/h4-6,10-11,18H,3,7-9H2,1-2H3
InChIKeyRQHWYXVTXSCHOR-UHFFFAOYSA-N
XLogP3.06
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
The IUPAC name of ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate (CID 14973215) is ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate.
What is the SMILES notation for ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
The canonical SMILES for ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate is CCOC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.
What is the InChIKey of ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
The InChIKey is RQHWYXVTXSCHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-17(20)13-4-5-16-14(10-13)15(11-18-16)12-6-8-19(2)9-7-12/h4-6,10-11,18H,3,7-9H2,1-2H3.
What are the key properties of ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate is sourced from PubChem (CID 14973215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).