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

C22H21N3O — CID 109242381

IUPAC2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
SMILESCc1cc(C)cc(Nc2cncc(C(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C22H21N3O/c1-15-9-16(2)11-19(10-15)24-20-12-18(13-23-14-20)22(26)25-8-7-17-5-3-4-6-21(17)25/h3-6,9-14,24H,7-8H2,1-2H3
InChIKeyQOPPAMVQXIRLRS-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.64
Rot. Bonds3

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

2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone (PubChem CID 109242381) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
PubChem CID109242381
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
SMILESCc1cc(C)cc(Nc2cncc(C(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C22H21N3O/c1-15-9-16(2)11-19(10-15)24-20-12-18(13-23-14-20)22(26)25-8-7-17-5-3-4-6-21(17)25/h3-6,9-14,24H,7-8H2,1-2H3
InChIKeyQOPPAMVQXIRLRS-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

2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
[5-(2,5-dichloroanilino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109242444
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)pyrazin-2-yl]methanone
CID 109290400
2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
CID 109240141
[5-(3-chloroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109242554
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
3,4-dihydro-2H-quinolin-1-yl-[5-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109242568
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone (CID 109242381) is 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone is Cc1cc(C)cc(Nc2cncc(C(=O)N3CCc4ccccc43)c2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone?
The InChIKey is QOPPAMVQXIRLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-9-16(2)11-19(10-15)24-20-12-18(13-23-14-20)22(26)25-8-7-17-5-3-4-6-21(17)25/h3-6,9-14,24H,7-8H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(3,5-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-(3,5-dimethylanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109242381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).