5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine

C17H22N4 — CID 134254363

IUPAC5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine
SMILESCCN1CCCCNc2nc(-c3cncc(C)c3)ccc21
InChIInChI=1S/C17H22N4/c1-3-21-9-5-4-8-19-17-16(21)7-6-15(20-17)14-10-13(2)11-18-12-14/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyVZBHUAWTEWDGJD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.48
Rot. Bonds2

About 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine

5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine (PubChem CID 134254363) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine.

Molecular Properties

Compound Name5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine
PubChem CID134254363
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine
SMILESCCN1CCCCNc2nc(-c3cncc(C)c3)ccc21
InChIInChI=1S/C17H22N4/c1-3-21-9-5-4-8-19-17-16(21)7-6-15(20-17)14-10-13(2)11-18-12-14/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyVZBHUAWTEWDGJD-UHFFFAOYSA-N
XLogP3.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine with MolForge

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Related Compounds

6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine
CID 130473517
3-methyl-5-(4-methyl-2-pyridinyl)pyridine
CID 54101301
5,10-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine
CID 137401189
2-bromo-6-(5-methyl-3-pyridinyl)pyridine
CID 115375410
4-(5-methyl-3-pyridinyl)-N-propylpyrimidin-2-amine
CID 115375546
3-(4-fluoro-2-pyridinyl)-5-methylpyridine
CID 102824529
3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one
CID 20522388
1-ethyl-6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinoline
CID 130440298
N-[1-[2-[5-(1,1-difluoroethyl)-3-pyridinyl]-5-methyl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocin-10-yl]ethenyl]-5-methylpyridin-3-amine
CID 137400804
1-[(5-methyl-3-pyridinyl)methyl]diazinane
CID 131036617
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N-pyrazin-2-yl-2-[5-(trifluoromethyl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b][1,4]diazocine-10-carboxamide
CID 118125010

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine?
The IUPAC name of 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine (CID 134254363) is 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine.
What is the SMILES notation for 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine?
The canonical SMILES for 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine is CCN1CCCCNc2nc(-c3cncc(C)c3)ccc21.
What is the InChIKey of 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine?
The InChIKey is VZBHUAWTEWDGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-21-9-5-4-8-19-17-16(21)7-6-15(20-17)14-10-13(2)11-18-12-14/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine?
5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine has a molecular weight of 282.39 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine is sourced from PubChem (CID 134254363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).