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

C22H21N3O3 — CID 109197766

IUPAC2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
SMILESCOc1ccc(OC)c(Nc2ccc(C(=O)N3CCc4ccccc43)nc2)c1
InChIInChI=1S/C22H21N3O3/c1-27-17-8-10-21(28-2)19(13-17)24-16-7-9-18(23-14-16)22(26)25-12-11-15-5-3-4-6-20(15)25/h3-10,13-14,24H,11-12H2,1-2H3
InChIKeySPHBKRWUFPWYCV-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.05
Rot. Bonds5

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

2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone (PubChem CID 109197766) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
PubChem CID109197766
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
SMILESCOc1ccc(OC)c(Nc2ccc(C(=O)N3CCc4ccccc43)nc2)c1
InChIInChI=1S/C22H21N3O3/c1-27-17-8-10-21(28-2)19(13-17)24-16-7-9-18(23-14-16)22(26)25-12-11-15-5-3-4-6-20(15)25/h3-10,13-14,24H,11-12H2,1-2H3
InChIKeySPHBKRWUFPWYCV-UHFFFAOYSA-N
XLogP4.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
CID 109197743
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109197752
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone
CID 109290596
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391
5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197597
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone (CID 109197766) is 2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone is COc1ccc(OC)c(Nc2ccc(C(=O)N3CCc4ccccc43)nc2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone?
The InChIKey is SPHBKRWUFPWYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-17-8-10-21(28-2)19(13-17)24-16-7-9-18(23-14-16)22(26)25-12-11-15-5-3-4-6-20(15)25/h3-10,13-14,24H,11-12H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone has a molecular weight of 375.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109197766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).