6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione

C15H13N3O2 — CID 43586464

IUPAC6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
SMILESCN(Cc1cccnc1)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C15H13N3O2/c1-18(9-10-3-2-6-16-8-10)11-4-5-12-13(7-11)17-15(20)14(12)19/h2-8H,9H2,1H3,(H,17,19,20)
InChIKeyPUGNXXPOAOVCQI-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.85
Rot. Bonds3

About 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione

6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione (PubChem CID 43586464) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
PubChem CID43586464
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
SMILESCN(Cc1cccnc1)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C15H13N3O2/c1-18(9-10-3-2-6-16-8-10)11-4-5-12-13(7-11)17-15(20)14(12)19/h2-8H,9H2,1H3,(H,17,19,20)
InChIKeyPUGNXXPOAOVCQI-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione 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

5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
CID 79342515
6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione
CID 61411647
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 63371061
6-[methyl(propan-2-yl)amino]-1H-indole-2,3-dione
CID 43586413
2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide
CID 80641227
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563488
2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 113323849
4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline
CID 62135360
4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594446
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione?
The IUPAC name of 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione (CID 43586464) is 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione is CN(Cc1cccnc1)c1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione?
The InChIKey is PUGNXXPOAOVCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18(9-10-3-2-6-16-8-10)11-4-5-12-13(7-11)17-15(20)14(12)19/h2-8H,9H2,1H3,(H,17,19,20).
What are the key properties of 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione?
6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione has a molecular weight of 267.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 43586464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).