2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone

C21H19N3O2 — CID 109197759

IUPAC2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
SMILESCOc1cccc(Nc2ccc(C(=O)N3CCc4ccccc43)nc2)c1
InChIInChI=1S/C21H19N3O2/c1-26-18-7-4-6-16(13-18)23-17-9-10-19(22-14-17)21(25)24-12-11-15-5-2-3-8-20(15)24/h2-10,13-14,23H,11-12H2,1H3
InChIKeyGIWKXOMJYJLZBA-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.04
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone

2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone (PubChem CID 109197759) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
PubChem CID109197759
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
SMILESCOc1cccc(Nc2ccc(C(=O)N3CCc4ccccc43)nc2)c1
InChIInChI=1S/C21H19N3O2/c1-26-18-7-4-6-16(13-18)23-17-9-10-19(22-14-17)21(25)24-12-11-15-5-2-3-8-20(15)24/h2-10,13-14,23H,11-12H2,1H3
InChIKeyGIWKXOMJYJLZBA-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

2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
CID 109197766
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335480
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
CID 109197743

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone (CID 109197759) is 2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone is COc1cccc(Nc2ccc(C(=O)N3CCc4ccccc43)nc2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone?
The InChIKey is GIWKXOMJYJLZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-18-7-4-6-16(13-18)23-17-9-10-19(22-14-17)21(25)24-12-11-15-5-2-3-8-20(15)24/h2-10,13-14,23H,11-12H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(3-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-[5-(3-methoxyanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109197759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).