3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione

C14H21N3O2 — CID 177355563

IUPAC3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione
SMILESCC1=CC=C(NC2CCC(=O)CNC2=O)C(C)N1C
InChIInChI=1S/C14H21N3O2/c1-9-4-6-12(10(2)17(9)3)16-13-7-5-11(18)8-15-14(13)19/h4,6,10,13,16H,5,7-8H2,1-3H3,(H,15,19)
InChIKeyGILLRZUGKMUYOZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.55
Rot. Bonds2

About 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione

3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione (PubChem CID 177355563) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione.

Molecular Properties

Compound Name3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione
PubChem CID177355563
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione
SMILESCC1=CC=C(NC2CCC(=O)CNC2=O)C(C)N1C
InChIInChI=1S/C14H21N3O2/c1-9-4-6-12(10(2)17(9)3)16-13-7-5-11(18)8-15-14(13)19/h4,6,10,13,16H,5,7-8H2,1-3H3,(H,15,19)
InChIKeyGILLRZUGKMUYOZ-UHFFFAOYSA-N
XLogP0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione with MolForge

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Related Compounds

3-[(3-fluoro-4-methylcyclohexa-1,3-dien-1-yl)amino]azepane-2,6-dione
CID 177355986
5-[(2,6-dioxoazepan-3-yl)amino]-2-methylbenzonitrile
CID 177353767
3-[(1-methylpyrazol-4-yl)amino]azepan-2-one
CID 79770473
6-tert-butyl-1-methylpiperazine-2,5-dione
CID 64881639
3-[(4-methylpyrazolo[1,5-a]pyridin-7-yl)amino]piperidine-2,6-dione
CID 171103569
3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione
CID 177240385
3-methyl-4-[(2-oxopiperidin-3-yl)amino]benzoic acid
CID 55161131
1,2,3,6-tetramethyl-2,3-dihydropyridin-4-one
CID 54403371
6-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972237
3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione
CID 137368671
3-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]piperidine-2,6-dione
CID 146573480
6-amino-1-methyl-5-[(2-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione
CID 62059575

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione?
The IUPAC name of 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione (CID 177355563) is 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione.
What is the SMILES notation for 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione?
The canonical SMILES for 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione is CC1=CC=C(NC2CCC(=O)CNC2=O)C(C)N1C.
What is the InChIKey of 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione?
The InChIKey is GILLRZUGKMUYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-4-6-12(10(2)17(9)3)16-13-7-5-11(18)8-15-14(13)19/h4,6,10,13,16H,5,7-8H2,1-3H3,(H,15,19).
What are the key properties of 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione?
3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione has a molecular weight of 263.34 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2,6-trimethyl-2H-pyridin-3-yl)amino]azepane-2,6-dione is sourced from PubChem (CID 177355563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).