2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone

C21H19N3O2 — CID 109219537

IUPAC2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
SMILESCOc1ccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C21H19N3O2/c1-26-18-8-6-16(7-9-18)23-17-10-12-22-19(14-17)21(25)24-13-11-15-4-2-3-5-20(15)24/h2-10,12,14H,11,13H2,1H3,(H,22,23)
InChIKeyURTGSJYLJVTELF-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.04
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone

2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone (PubChem CID 109219537) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
PubChem CID109219537
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
SMILESCOc1ccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C21H19N3O2/c1-26-18-8-6-16(7-9-18)23-17-10-12-22-19(14-17)21(25)24-13-11-15-4-2-3-5-20(15)24/h2-10,12,14H,11,13H2,1H3,(H,22,23)
InChIKeyURTGSJYLJVTELF-UHFFFAOYSA-N
XLogP4.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219532
2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214592
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109219554
4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219573
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219564
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
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
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219569
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
2,3-dihydroindol-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109219565

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone (CID 109219537) is 2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone is COc1ccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone?
The InChIKey is URTGSJYLJVTELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-18-8-6-16(7-9-18)23-17-10-12-22-19(14-17)21(25)24-13-11-15-4-2-3-5-20(15)24/h2-10,12,14H,11,13H2,1H3,(H,22,23).
What are the key properties of 2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone has a molecular weight of 345.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109219537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).