methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate

C23H21N3O3 — CID 109200510

IUPACmethyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)N3c4ccccc4CC3C)nc2)c1
InChIInChI=1S/C23H21N3O3/c1-15-12-16-6-3-4-9-21(16)26(15)22(27)20-11-10-19(14-24-20)25-18-8-5-7-17(13-18)23(28)29-2/h3-11,13-15,25H,12H2,1-2H3
InChIKeyIPVFJBYSUGHZFV-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.20
Rot. Bonds4

About methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate

methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate (PubChem CID 109200510) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate
PubChem CID109200510
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Namemethyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)N3c4ccccc4CC3C)nc2)c1
InChIInChI=1S/C23H21N3O3/c1-15-12-16-6-3-4-9-21(16)26(15)22(27)20-11-10-19(14-24-20)25-18-8-5-7-17(13-18)23(28)29-2/h3-11,13-15,25H,12H2,1-2H3
InChIKeyIPVFJBYSUGHZFV-UHFFFAOYSA-N
XLogP4.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate with MolForge

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Related Compounds

methyl 3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazin-2-yl]amino]benzoate
CID 109294208
(5-anilino-2-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109197131
[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109200832
methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109129977
methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 109010122
1-[3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109270088
methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109164639
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109197014
methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109294195
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109219554
[5-(4-fluoroanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109292582

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate (CID 109200510) is methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(C(=O)N3c4ccccc4CC3C)nc2)c1.
What is the InChIKey of methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate?
The InChIKey is IPVFJBYSUGHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15-12-16-6-3-4-9-21(16)26(15)22(27)20-11-10-19(14-24-20)25-18-8-5-7-17(13-18)23(28)29-2/h3-11,13-15,25H,12H2,1-2H3.
What are the key properties of methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate?
methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate has a molecular weight of 387.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109200510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).