7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]

C15H23N3O — CID 115323681

IUPAC7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]
SMILESCOc1ccc2c(n1)N(C)C1(CCCCC1)CCN2
InChIInChI=1S/C15H23N3O/c1-18-14-12(6-7-13(17-14)19-2)16-11-10-15(18)8-4-3-5-9-15/h6-7,16H,3-5,8-11H2,1-2H3
InChIKeyFBDQMDOEYJERRS-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.04
Rot. Bonds1

About 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]

7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane] (PubChem CID 115323681) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane].

Molecular Properties

Compound Name7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]
PubChem CID115323681
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]
SMILESCOc1ccc2c(n1)N(C)C1(CCCCC1)CCN2
InChIInChI=1S/C15H23N3O/c1-18-14-12(6-7-13(17-14)19-2)16-11-10-15(18)8-4-3-5-9-15/h6-7,16H,3-5,8-11H2,1-2H3
InChIKeyFBDQMDOEYJERRS-UHFFFAOYSA-N
XLogP3.04
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane] with MolForge

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Related Compounds

5-ethyl-7-methoxy-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine
CID 115323659
4-ethyl-6-methoxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 115323647
7-methoxyspiro[1,2,4,5-tetrahydropyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]
CID 115452174
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
CID 142566889
1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64845816
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
1-(3-amino-6-methoxy-2-pyridinyl)-4-methylpiperidin-4-ol
CID 115320981
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
(6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97203552
1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
CID 66318528

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]?
The IUPAC name of 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane] (CID 115323681) is 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane].
What is the SMILES notation for 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]?
The canonical SMILES for 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane] is COc1ccc2c(n1)N(C)C1(CCCCC1)CCN2.
What is the InChIKey of 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]?
The InChIKey is FBDQMDOEYJERRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-14-12(6-7-13(17-14)19-2)16-11-10-15(18)8-4-3-5-9-15/h6-7,16H,3-5,8-11H2,1-2H3.
What are the key properties of 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]?
7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane] has a molecular weight of 261.37 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methylspiro[2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane] is sourced from PubChem (CID 115323681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).