methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate

C23H21N3O3 — CID 109164639

IUPACmethyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)N3c4ccccc4CC3C)cn2)cc1
InChIInChI=1S/C23H21N3O3/c1-15-13-17-5-3-4-6-20(17)26(15)22(27)18-9-12-21(24-14-18)25-19-10-7-16(8-11-19)23(28)29-2/h3-12,14-15H,13H2,1-2H3,(H,24,25)
InChIKeyPBRZNDVVURGOPN-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.20
Rot. Bonds4

About methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate

methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate (PubChem CID 109164639) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate
PubChem CID109164639
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Namemethyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)N3c4ccccc4CC3C)cn2)cc1
InChIInChI=1S/C23H21N3O3/c1-15-13-17-5-3-4-6-20(17)26(15)22(27)18-9-12-21(24-14-18)25-19-10-7-16(8-11-19)23(28)29-2/h3-12,14-15H,13H2,1-2H3,(H,24,25)
InChIKeyPBRZNDVVURGOPN-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-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate with MolForge

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Related Compounds

N-[4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109164561
methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109129977
[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109164801
[6-(3-chloroanilino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109163427
[6-(ethylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62172788
methyl 3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazin-2-yl]amino]benzoate
CID 109294208
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109157300
methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109200510
[5-(4-fluoroanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109292582
[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109158916
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109270569

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate (CID 109164639) is methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2ccc(C(=O)N3c4ccccc4CC3C)cn2)cc1.
What is the InChIKey of methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate?
The InChIKey is PBRZNDVVURGOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15-13-17-5-3-4-6-20(17)26(15)22(27)18-9-12-21(24-14-18)25-19-10-7-16(8-11-19)23(28)29-2/h3-12,14-15H,13H2,1-2H3,(H,24,25).
What are the key properties of methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate?
methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-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 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109164639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).