7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione

C13H19N3O2 — CID 166883788

IUPAC7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione
SMILESCCn1cc2c(cc1=O)N(C)C(=O)C(NC)CC2
InChIInChI=1S/C13H19N3O2/c1-4-16-8-9-5-6-10(14-2)13(18)15(3)11(9)7-12(16)17/h7-8,10,14H,4-6H2,1-3H3
InChIKeyXJEMTNRIHNOJPJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.37
Rot. Bonds2

About 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione

7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione (PubChem CID 166883788) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione.

Molecular Properties

Compound Name7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione
PubChem CID166883788
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione
SMILESCCn1cc2c(cc1=O)N(C)C(=O)C(NC)CC2
InChIInChI=1S/C13H19N3O2/c1-4-16-8-9-5-6-10(14-2)13(18)15(3)11(9)7-12(16)17/h7-8,10,14H,4-6H2,1-3H3
InChIKeyXJEMTNRIHNOJPJ-UHFFFAOYSA-N
XLogP0.37
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione with MolForge

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Related Compounds

N-[(3S)-2-oxoazepan-3-yl]cyclohexene-1-carboxamide
CID 11536008
5,6-dimethyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide
CID 70723092
6-methyl-2-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-3-carboxamide
CID 72049053
N-[(3S)-2-oxoazepan-3-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 93865091
N-(2-oxoazepan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45818813
N-[(3R)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 94024291
N-[(3S)-2-oxoazepan-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 94024293
N-(5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)butyramide
CID 45498220
N-(5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)pivalamide
CID 45498221
N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl]-2-propylpentanamide
CID 45498222
N-(5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)cyclopropanecarboxamide
CID 45498223
3-Butyl-1-methyl-4-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]piperazin-2-one
CID 56711658

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione?
The IUPAC name of 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione (CID 166883788) is 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione.
What is the SMILES notation for 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione?
The canonical SMILES for 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione is CCn1cc2c(cc1=O)N(C)C(=O)C(NC)CC2.
What is the InChIKey of 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione?
The InChIKey is XJEMTNRIHNOJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-16-8-9-5-6-10(14-2)13(18)15(3)11(9)7-12(16)17/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione?
7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione has a molecular weight of 249.31 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-methyl-3-(methylamino)-4,5-dihydro-3H-pyrido[4,3-b]azepine-2,8-dione is sourced from PubChem (CID 166883788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).