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

C21H18BrN3O — CID 133320455

IUPAC[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccnc1NCc1ccc(Br)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H18BrN3O/c22-17-9-7-15(8-10-17)14-24-20-18(5-3-12-23-20)21(26)25-13-11-16-4-1-2-6-19(16)25/h1-10,12H,11,13-14H2,(H,23,24)
InChIKeyCFKNYKYFXLAXHP-UHFFFAOYSA-N
MW408.30 g/mol
LogP4.66
Rot. Bonds4

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

[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 133320455) has the molecular formula C21H18BrN3O and a molecular weight of 408.30 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID133320455
Molecular FormulaC21H18BrN3O
Molecular Weight408.30 g/mol
Exact Mass407.06
IUPAC Name[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccnc1NCc1ccc(Br)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H18BrN3O/c22-17-9-7-15(8-10-17)14-24-20-18(5-3-12-23-20)21(26)25-13-11-16-4-1-2-6-19(16)25/h1-10,12H,11,13-14H2,(H,23,24)
InChIKeyCFKNYKYFXLAXHP-UHFFFAOYSA-N
XLogP4.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133474821
[2-[2-(5-bromofuran-2-yl)ethylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133374967
2,3-dihydroindol-1-yl-[2-[(2-phenylcyclopropyl)methylamino]-3-pyridinyl]methanone
CID 133322063
2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone
CID 133321187
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
CID 133491606
2,3-dihydroindol-1-yl-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-pyridinyl]methanone
CID 133342903
2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
CID 133347562
[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133348597
2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone
CID 133346714
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 62249938
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249437

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 133320455) is [2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1cccnc1NCc1ccc(Br)cc1)N1CCc2ccccc21.
What is the InChIKey of [2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is CFKNYKYFXLAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O/c22-17-9-7-15(8-10-17)14-24-20-18(5-3-12-23-20)21(26)25-13-11-16-4-1-2-6-19(16)25/h1-10,12H,11,13-14H2,(H,23,24).
What are the key properties of [2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 408.30 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 133320455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).