methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate

C23H21N3O3 — CID 109178653

IUPACmethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccnc(N3c4ccccc4CC3C)c2)cc1
InChIInChI=1S/C23H21N3O3/c1-15-13-17-5-3-4-6-20(17)26(15)21-14-18(11-12-24-21)22(27)25-19-9-7-16(8-10-19)23(28)29-2/h3-12,14-15H,13H2,1-2H3,(H,25,27)
InChIKeyGEGYSJKBAQIEQP-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.20
Rot. Bonds4

About methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate

methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109178653) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate
PubChem CID109178653
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Namemethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccnc(N3c4ccccc4CC3C)c2)cc1
InChIInChI=1S/C23H21N3O3/c1-15-13-17-5-3-4-6-20(17)26(15)21-14-18(11-12-24-21)22(27)25-19-9-7-16(8-10-19)23(28)29-2/h3-12,14-15H,13H2,1-2H3,(H,25,27)
InChIKeyGEGYSJKBAQIEQP-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 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109178358
N-(2,5-dimethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109178330
4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
CID 113022083
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169666
methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109294195
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164303
N-[4-(dimethylamino)phenyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109164685
N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109172647
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270109
N-benzyl-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109170283
5-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyridine-3-carboxamide
CID 109241516
N-(4-chlorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109128795

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate (CID 109178653) is methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccnc(N3c4ccccc4CC3C)c2)cc1.
What is the InChIKey of methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is GEGYSJKBAQIEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15-13-17-5-3-4-6-20(17)26(15)21-14-18(11-12-24-21)22(27)25-19-9-7-16(8-10-19)23(28)29-2/h3-12,14-15H,13H2,1-2H3,(H,25,27).
What are the key properties of methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate?
methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]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 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109178653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).