3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one

C15H21BrN4O — CID 79342572

IUPAC3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one
SMILESCN(CC1CCCN1C)c1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C15H21BrN4O/c1-19-5-3-4-9(19)8-20(2)13-7-12-10(6-11(13)16)14(17)15(21)18-12/h6-7,9,14H,3-5,8,17H2,1-2H3,(H,18,21)
InChIKeyIECHGNNXVWDURV-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one

3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one (PubChem CID 79342572) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one
PubChem CID79342572
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one
SMILESCN(CC1CCCN1C)c1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C15H21BrN4O/c1-19-5-3-4-9(19)8-20(2)13-7-12-10(6-11(13)16)14(17)15(21)18-12/h6-7,9,14H,3-5,8,17H2,1-2H3,(H,18,21)
InChIKeyIECHGNNXVWDURV-UHFFFAOYSA-N
XLogP1.93
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one
CID 107399221
3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79345048
3-amino-5-bromo-6-[methyl(2-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79342812
(1S)-1-[3-bromo-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79319971
5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one
CID 79335984
[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol
CID 79319074
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1H-indole-2,3-dione
CID 79314091
5-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarbothioamide
CID 114891907
4-amino-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzoic acid
CID 79312601
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531843
3-amino-5-bromo-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79342791
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 107926272

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one (CID 79342572) is 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one is CN(CC1CCCN1C)c1cc2c(cc1Br)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one?
The InChIKey is IECHGNNXVWDURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O/c1-19-5-3-4-9(19)8-20(2)13-7-12-10(6-11(13)16)14(17)15(21)18-12/h6-7,9,14H,3-5,8,17H2,1-2H3,(H,18,21).
What are the key properties of 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one has a molecular weight of 353.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79342572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).