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

C22H19N3O3 — CID 109219554

IUPACmethyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C22H19N3O3/c1-28-22(27)16-6-4-7-17(13-16)24-18-9-11-23-19(14-18)21(26)25-12-10-15-5-2-3-8-20(15)25/h2-9,11,13-14H,10,12H2,1H3,(H,23,24)
InChIKeyCCXOGOSLDNCFNP-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.81
Rot. Bonds4

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

methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate (PubChem CID 109219554) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
PubChem CID109219554
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Namemethyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C22H19N3O3/c1-28-22(27)16-6-4-7-17(13-16)24-18-9-11-23-19(14-18)21(26)25-12-10-15-5-2-3-8-20(15)25/h2-9,11,13-14H,10,12H2,1H3,(H,23,24)
InChIKeyCCXOGOSLDNCFNP-UHFFFAOYSA-N
XLogP3.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219532
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
methyl 3-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208822
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219564
4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219573
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
2,3-dihydroindol-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109219565
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219569
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate (CID 109219554) is methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate is COC(=O)c1cccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)c1.
What is the InChIKey of methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate?
The InChIKey is CCXOGOSLDNCFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-28-22(27)16-6-4-7-17(13-16)24-18-9-11-23-19(14-18)21(26)25-12-10-15-5-2-3-8-20(15)25/h2-9,11,13-14H,10,12H2,1H3,(H,23,24).
What are the key properties of methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate?
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate has a molecular weight of 373.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109219554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).