5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine

C11H17N3O — CID 115323659

IUPAC5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine
SMILESCCN1CCCNc2ccc(OC)nc21
InChIInChI=1S/C11H17N3O/c1-3-14-8-4-7-12-9-5-6-10(15-2)13-11(9)14/h5-6,12H,3-4,7-8H2,1-2H3
InChIKeyUDKKTCPMLOLRFP-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.73
Rot. Bonds2

About 5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine

5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine (PubChem CID 115323659) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine.

Molecular Properties

Compound Name5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine
PubChem CID115323659
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine
SMILESCCN1CCCNc2ccc(OC)nc21
InChIInChI=1S/C11H17N3O/c1-3-14-8-4-7-12-9-5-6-10(15-2)13-11(9)14/h5-6,12H,3-4,7-8H2,1-2H3
InChIKeyUDKKTCPMLOLRFP-UHFFFAOYSA-N
XLogP1.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-6-methoxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 115323647
7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]
CID 115323681
8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
CID 142566889
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
7-methoxy-5-propan-2-yl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 113287004
4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 113286554
5-(2,2-dimethylpropoxy)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 105459172
1-(3-amino-6-methoxy-2-pyridinyl)-4-methylpiperidin-4-ol
CID 115320981
6-methoxy-2,4-dihydro-1H-1,5-naphthyridin-3-one
CID 58200875
4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1H-pyrido[2,3-b]pyrazine
CID 141223029
(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enyl-1,3-diazinan-2-ylidene)ethanone
CID 10084640

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine?
The IUPAC name of 5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine (CID 115323659) is 5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine.
What is the SMILES notation for 5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine?
The canonical SMILES for 5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine is CCN1CCCNc2ccc(OC)nc21.
What is the InChIKey of 5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine?
The InChIKey is UDKKTCPMLOLRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-14-8-4-7-12-9-5-6-10(15-2)13-11(9)14/h5-6,12H,3-4,7-8H2,1-2H3.
What are the key properties of 5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine?
5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine has a molecular weight of 207.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine is sourced from PubChem (CID 115323659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).