4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one

C15H15BrN4O — CID 43690563

IUPAC4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one
SMILESCN(C)c1ccc(NC2C(=O)Nc3cccc(Br)c32)cn1
InChIInChI=1S/C15H15BrN4O/c1-20(2)12-7-6-9(8-17-12)18-14-13-10(16)4-3-5-11(13)19-15(14)21/h3-8,14,18H,1-2H3,(H,19,21)
InChIKeyDUFNMDVSHXQFQJ-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.02
Rot. Bonds3

About 4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one

4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one (PubChem CID 43690563) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one
PubChem CID43690563
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one
SMILESCN(C)c1ccc(NC2C(=O)Nc3cccc(Br)c32)cn1
InChIInChI=1S/C15H15BrN4O/c1-20(2)12-7-6-9(8-17-12)18-14-13-10(16)4-3-5-11(13)19-15(14)21/h3-8,14,18H,1-2H3,(H,19,21)
InChIKeyDUFNMDVSHXQFQJ-UHFFFAOYSA-N
XLogP3.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-(3-fluoro-4-methylanilino)-1,3-dihydroindol-2-one
CID 43195608
4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
CID 43824479
4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one
CID 43195383
4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43105626
2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide
CID 43551820
6-bromo-3-[4-(dimethylamino)anilino]-1,3-dihydroindol-2-one
CID 43616930
2-N,2-N-dimethyl-5-N-(4-propylcyclohexyl)pyridine-2,5-diamine
CID 43690400
5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690592
4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one
CID 43207444
(1aS,7bS)-7-bromo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 98125266
5-N-(azepan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine;trihydrochloride
CID 86775335
2-N,2-N-dimethyl-5-N-(2-methylcyclohexyl)pyridine-2,5-diamine
CID 43690472

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one (CID 43690563) is 4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one is CN(C)c1ccc(NC2C(=O)Nc3cccc(Br)c32)cn1.
What is the InChIKey of 4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one?
The InChIKey is DUFNMDVSHXQFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-20(2)12-7-6-9(8-17-12)18-14-13-10(16)4-3-5-11(13)19-15(14)21/h3-8,14,18H,1-2H3,(H,19,21).
What are the key properties of 4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one?
4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one has a molecular weight of 347.22 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43690563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).