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

C15H15BrN4O — CID 79344189

IUPAC3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one
SMILESCN(Cc1ccccn1)c1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C15H15BrN4O/c1-20(8-9-4-2-3-5-18-9)13-7-12-10(6-11(13)16)14(17)15(21)19-12/h2-7,14H,8,17H2,1H3,(H,19,21)
InChIKeyALCWRLGDVWTALD-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.43
Rot. Bonds3

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

3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79344189) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one
PubChem CID79344189
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one
SMILESCN(Cc1ccccn1)c1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C15H15BrN4O/c1-20(8-9-4-2-3-5-18-9)13-7-12-10(6-11(13)16)14(17)15(21)19-12/h2-7,14H,8,17H2,1H3,(H,19,21)
InChIKeyALCWRLGDVWTALD-UHFFFAOYSA-N
XLogP2.43
TPSA71.25 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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one
CID 43586847
3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one
CID 79344380
(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol
CID 55183198
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-bromo-6-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 114882000
5-bromo-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 114891368
6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43193701
3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one
CID 82955288
4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 107080376
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine
CID 103517732

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one (CID 79344189) is 3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one is CN(Cc1ccccn1)c1cc2c(cc1Br)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is ALCWRLGDVWTALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-20(8-9-4-2-3-5-18-9)13-7-12-10(6-11(13)16)14(17)15(21)19-12/h2-7,14H,8,17H2,1H3,(H,19,21).
What are the key properties of 3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 347.22 g/mol, XLogP of 2.43, 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(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).