methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate

C22H20N4O3 — CID 109318302

IUPACmethyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1nccc(C(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C22H20N4O3/c1-14-13-15-7-3-6-10-19(15)26(14)20(27)18-11-12-23-22(25-18)24-17-9-5-4-8-16(17)21(28)29-2/h3-12,14H,13H2,1-2H3,(H,23,24,25)
InChIKeyWWYGANFIVKETQM-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.60
Rot. Bonds4

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

methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate (PubChem CID 109318302) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate
PubChem CID109318302
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Namemethyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1nccc(C(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C22H20N4O3/c1-14-13-15-7-3-6-10-19(15)26(14)20(27)18-11-12-23-22(25-18)24-17-9-5-4-8-16(17)21(28)29-2/h3-12,14H,13H2,1-2H3,(H,23,24,25)
InChIKeyWWYGANFIVKETQM-UHFFFAOYSA-N
XLogP3.60
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109314656
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296868
(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109304559
methyl 2-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112905856
(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109311011
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041361
methyl 2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109335497
2,3-dihydroindol-1-yl-[2-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109314490
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109309496
methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109129977
methyl 2-[[4-[(4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109314141

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate (CID 109318302) is methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate is COC(=O)c1ccccc1Nc1nccc(C(=O)N2c3ccccc3CC2C)n1.
What is the InChIKey of methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate?
The InChIKey is WWYGANFIVKETQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-13-15-7-3-6-10-19(15)26(14)20(27)18-11-12-23-22(25-18)24-17-9-5-4-8-16(17)21(28)29-2/h3-12,14H,13H2,1-2H3,(H,23,24,25).
What are the key properties of methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate?
methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate has a molecular weight of 388.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate is sourced from PubChem (CID 109318302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).