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

C20H16BrN3O — CID 109219561

IUPAC[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cc(Nc2ccccc2Br)ccn1)N1CCc2ccccc21
InChIInChI=1S/C20H16BrN3O/c21-16-6-2-3-7-17(16)23-15-9-11-22-18(13-15)20(25)24-12-10-14-5-1-4-8-19(14)24/h1-9,11,13H,10,12H2,(H,22,23)
InChIKeyWABPSFJNUODKJB-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.79
Rot. Bonds3

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

[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109219561) has the molecular formula C20H16BrN3O and a molecular weight of 394.27 g/mol. Its IUPAC name is [4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109219561
Molecular FormulaC20H16BrN3O
Molecular Weight394.27 g/mol
Exact Mass393.05
IUPAC Name[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cc(Nc2ccccc2Br)ccn1)N1CCc2ccccc21
InChIInChI=1S/C20H16BrN3O/c21-16-6-2-3-7-17(16)23-15-9-11-22-18(13-15)20(25)24-12-10-14-5-1-4-8-19(14)24/h1-9,11,13H,10,12H2,(H,22,23)
InChIKeyWABPSFJNUODKJB-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109219565
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
2-[[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219683
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219564
4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219573
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
[4-(2,6-difluoroanilino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109219687
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109219554
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219569
[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219532

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 109219561) is [4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1cc(Nc2ccccc2Br)ccn1)N1CCc2ccccc21.
What is the InChIKey of [4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is WABPSFJNUODKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O/c21-16-6-2-3-7-17(16)23-15-9-11-22-18(13-15)20(25)24-12-10-14-5-1-4-8-19(14)24/h1-9,11,13H,10,12H2,(H,22,23).
What are the key properties of [4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 394.27 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109219561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).