2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone

C15H23N3O3 — CID 97391250

IUPAC2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
SMILESCCOCC(=O)N1CCN(CCOC)c2ncccc2C1
InChIInChI=1S/C15H23N3O3/c1-3-21-12-14(19)18-8-7-17(9-10-20-2)15-13(11-18)5-4-6-16-15/h4-6H,3,7-12H2,1-2H3
InChIKeyGEUNOORGBHSWMV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.91
Rot. Bonds6

About 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone

2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone (PubChem CID 97391250) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
PubChem CID97391250
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
SMILESCCOCC(=O)N1CCN(CCOC)c2ncccc2C1
InChIInChI=1S/C15H23N3O3/c1-3-21-12-14(19)18-8-7-17(9-10-20-2)15-13(11-18)5-4-6-16-15/h4-6H,3,7-12H2,1-2H3
InChIKeyGEUNOORGBHSWMV-UHFFFAOYSA-N
XLogP0.91
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone with MolForge

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Related Compounds

[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone
CID 97369106
2-(5-fluoro-2-pyridinyl)-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 131682049
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone
CID 97383574
2-ethoxy-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 97469046
furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
CID 97383570
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 124798653
2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone
CID 53140198
4-[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-4-oxobutanoic acid
CID 98780531
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97468936
[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone
CID 97469118
2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 79472972

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone (CID 97391250) is 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone is CCOCC(=O)N1CCN(CCOC)c2ncccc2C1.
What is the InChIKey of 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone?
The InChIKey is GEUNOORGBHSWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-21-12-14(19)18-8-7-17(9-10-20-2)15-13(11-18)5-4-6-16-15/h4-6H,3,7-12H2,1-2H3.
What are the key properties of 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone?
2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone has a molecular weight of 293.37 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone is sourced from PubChem (CID 97391250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).