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

C22H21N3O — CID 109242383

IUPAC2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
SMILESCc1cccc(Nc2cncc(C(=O)N3CCc4ccccc43)c2)c1C
InChIInChI=1S/C22H21N3O/c1-15-6-5-8-20(16(15)2)24-19-12-18(13-23-14-19)22(26)25-11-10-17-7-3-4-9-21(17)25/h3-9,12-14,24H,10-11H2,1-2H3
InChIKeyHWVWMXKDGRGVLL-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.64
Rot. Bonds3

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

2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone (PubChem CID 109242383) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
PubChem CID109242383
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
SMILESCc1cccc(Nc2cncc(C(=O)N3CCc4ccccc43)c2)c1C
InChIInChI=1S/C22H21N3O/c1-15-6-5-8-20(16(15)2)24-19-12-18(13-23-14-19)22(26)25-11-10-17-7-3-4-9-21(17)25/h3-9,12-14,24H,10-11H2,1-2H3
InChIKeyHWVWMXKDGRGVLL-UHFFFAOYSA-N
XLogP4.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242545
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739
[5-(2,5-dichloroanilino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109242444
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108144
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
3,4-dihydro-2H-quinolin-1-yl-[5-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109242568
3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109232136
[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109242554
2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
CID 109240141
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone (CID 109242383) is 2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone is Cc1cccc(Nc2cncc(C(=O)N3CCc4ccccc43)c2)c1C.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone?
The InChIKey is HWVWMXKDGRGVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-6-5-8-20(16(15)2)24-19-12-18(13-23-14-19)22(26)25-11-10-17-7-3-4-9-21(17)25/h3-9,12-14,24H,10-11H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone has a molecular weight of 343.43 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109242383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).