1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane

C14H23N3O — CID 64870564

IUPAC1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane
SMILESCOc1cccc(CN2CC(C)NCCC2C)n1
InChIInChI=1S/C14H23N3O/c1-11-9-17(12(2)7-8-15-11)10-13-5-4-6-14(16-13)18-3/h4-6,11-12,15H,7-10H2,1-3H3
InChIKeyUQUXCPXSVHISGN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds3

About 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane

1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane (PubChem CID 64870564) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane
PubChem CID64870564
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane
SMILESCOc1cccc(CN2CC(C)NCCC2C)n1
InChIInChI=1S/C14H23N3O/c1-11-9-17(12(2)7-8-15-11)10-13-5-4-6-14(16-13)18-3/h4-6,11-12,15H,7-10H2,1-3H3
InChIKeyUQUXCPXSVHISGN-UHFFFAOYSA-N
XLogP1.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
5-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine
CID 64841716
3,7-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64871956
3,7-dimethyl-1-(pyridin-4-ylmethyl)-1,4-diazepane
CID 64870371
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103897931
2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 64861386
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870565
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine
CID 114682535
1-[(4-ethylphenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64869776
2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine
CID 64843335
4-ethyl-5-[(6-methoxy-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208355
1-[(3-chloro-2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 102862804

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane?
The IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane (CID 64870564) is 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane.
What is the SMILES notation for 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane?
The canonical SMILES for 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane is COc1cccc(CN2CC(C)NCCC2C)n1.
What is the InChIKey of 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane?
The InChIKey is UQUXCPXSVHISGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-17(12(2)7-8-15-11)10-13-5-4-6-14(16-13)18-3/h4-6,11-12,15H,7-10H2,1-3H3.
What are the key properties of 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane?
1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane has a molecular weight of 249.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane is sourced from PubChem (CID 64870564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).