6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one

C15H14BrN3O — CID 84609387

IUPAC6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one
SMILESCC1C(=O)N(Cc2cccnc2)c2cc(N)c(Br)cc21
InChIInChI=1S/C15H14BrN3O/c1-9-11-5-12(16)13(17)6-14(11)19(15(9)20)8-10-3-2-4-18-7-10/h2-7,9H,8,17H2,1H3
InChIKeyUSAKCPIQDQVIQY-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.08
Rot. Bonds2

About 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one

6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one (PubChem CID 84609387) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one
PubChem CID84609387
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one
SMILESCC1C(=O)N(Cc2cccnc2)c2cc(N)c(Br)cc21
InChIInChI=1S/C15H14BrN3O/c1-9-11-5-12(16)13(17)6-14(11)19(15(9)20)8-10-3-2-4-18-7-10/h2-7,9H,8,17H2,1H3
InChIKeyUSAKCPIQDQVIQY-UHFFFAOYSA-N
XLogP3.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one 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

6-amino-1-benzyl-5-bromo-3-methyl-3H-indol-2-one
CID 84609112
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
(6S,7R)-4-(pyridin-3-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 134952389
(1R,2S,6S,7R)-4-(pyridin-3-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98125002
5-methyl-1-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 118365737
6-amino-2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 116788200
1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62876131
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881794
5-methyl-2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 3161320
5-bromo-6-methyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one
CID 66308769
1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one
CID 15023400

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one?
The IUPAC name of 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one (CID 84609387) is 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one is CC1C(=O)N(Cc2cccnc2)c2cc(N)c(Br)cc21.
What is the InChIKey of 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one?
The InChIKey is USAKCPIQDQVIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-11-5-12(16)13(17)6-14(11)19(15(9)20)8-10-3-2-4-18-7-10/h2-7,9H,8,17H2,1H3.
What are the key properties of 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one?
6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one has a molecular weight of 332.20 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-3-methyl-1-(pyridin-3-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 84609387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).