2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone

C22H21N3O — CID 109197734

IUPAC2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCc4ccccc43)nc2)c(C)c1
InChIInChI=1S/C22H21N3O/c1-15-7-9-19(16(2)13-15)24-18-8-10-20(23-14-18)22(26)25-12-11-17-5-3-4-6-21(17)25/h3-10,13-14,24H,11-12H2,1-2H3
InChIKeyCWSZQGUZEYIPOW-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.64
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone

2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone (PubChem CID 109197734) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
PubChem CID109197734
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCc4ccccc43)nc2)c(C)c1
InChIInChI=1S/C22H21N3O/c1-15-7-9-19(16(2)13-15)24-18-8-10-20(23-14-18)22(26)25-12-11-17-5-3-4-6-21(17)25/h3-10,13-14,24H,11-12H2,1-2H3
InChIKeyCWSZQGUZEYIPOW-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

[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109197752
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
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
2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
CID 109197766
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone
CID 109197873

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone (CID 109197734) is 2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone is Cc1ccc(Nc2ccc(C(=O)N3CCc4ccccc43)nc2)c(C)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone?
The InChIKey is CWSZQGUZEYIPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-7-9-19(16(2)13-15)24-18-8-10-20(23-14-18)22(26)25-12-11-17-5-3-4-6-21(17)25/h3-10,13-14,24H,11-12H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-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-(2,4-dimethylanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109197734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).