methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate

C23H23N3O5 — CID 134575266

IUPACmethyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate
SMILESCOC(=O)C1CC(=O)c2c([nH]c(-c3ccncc3OCCO)c2Nc2ccccc2)C1
InChIInChI=1S/C23H23N3O5/c1-30-23(29)14-11-17-20(18(28)12-14)22(25-15-5-3-2-4-6-15)21(26-17)16-7-8-24-13-19(16)31-10-9-27/h2-8,13-14,25-27H,9-12H2,1H3
InChIKeyANGSGHGASKJJDC-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.11
Rot. Bonds7

About methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate

methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate (PubChem CID 134575266) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate
PubChem CID134575266
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Namemethyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate
SMILESCOC(=O)C1CC(=O)c2c([nH]c(-c3ccncc3OCCO)c2Nc2ccccc2)C1
InChIInChI=1S/C23H23N3O5/c1-30-23(29)14-11-17-20(18(28)12-14)22(25-15-5-3-2-4-6-15)21(26-17)16-7-8-24-13-19(16)31-10-9-27/h2-8,13-14,25-27H,9-12H2,1H3
InChIKeyANGSGHGASKJJDC-UHFFFAOYSA-N
XLogP3.11
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-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 methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate?
The IUPAC name of methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate (CID 134575266) is methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate.
What is the SMILES notation for methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate?
The canonical SMILES for methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate is COC(=O)C1CC(=O)c2c([nH]c(-c3ccncc3OCCO)c2Nc2ccccc2)C1.
What is the InChIKey of methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate?
The InChIKey is ANGSGHGASKJJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-30-23(29)14-11-17-20(18(28)12-14)22(25-15-5-3-2-4-6-15)21(26-17)16-7-8-24-13-19(16)31-10-9-27/h2-8,13-14,25-27H,9-12H2,1H3.
What are the key properties of methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate?
methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate is sourced from PubChem (CID 134575266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).