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

C15H12ClN3O2 — CID 79342515

IUPAC5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
SMILESCN(Cc1cccnc1)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C15H12ClN3O2/c1-19(8-9-3-2-4-17-7-9)13-6-12-10(5-11(13)16)14(20)15(21)18-12/h2-7H,8H2,1H3,(H,18,20,21)
InChIKeyJXKDIBGHPDCJRS-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.51
Rot. Bonds3

About 5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione

5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione (PubChem CID 79342515) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
PubChem CID79342515
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
SMILESCN(Cc1cccnc1)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C15H12ClN3O2/c1-19(8-9-3-2-4-17-7-9)13-6-12-10(5-11(13)16)14(20)15(21)18-12/h2-7H,8H2,1H3,(H,18,20,21)
InChIKeyJXKDIBGHPDCJRS-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
CID 43586464
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563639
1-[3-chloro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanone
CID 62909147
2-chloro-N-methyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 81147194
3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563593
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563633
4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]benzenecarbothioamide
CID 63083726
6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79344998
2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563584
N,N-diethyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzenesulfonamide
CID 9183425

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione (CID 79342515) is 5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione is CN(Cc1cccnc1)c1cc2c(cc1Cl)C(=O)C(=O)N2.
What is the InChIKey of 5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione?
The InChIKey is JXKDIBGHPDCJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-19(8-9-3-2-4-17-7-9)13-6-12-10(5-11(13)16)14(20)15(21)18-12/h2-7H,8H2,1H3,(H,18,20,21).
What are the key properties of 5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione?
5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione has a molecular weight of 301.73 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 79342515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).