3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane

C16H25N3O — CID 64950976

IUPAC3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane
SMILESCOc1ccc(CN2CCCNC(C)(C3CC3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-16(14-5-6-14)12-19(9-3-8-18-16)11-13-4-7-15(20-2)17-10-13/h4,7,10,14,18H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyZCXPIHAIVKVDHV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.05
Rot. Bonds4

About 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane

3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane (PubChem CID 64950976) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane
PubChem CID64950976
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane
SMILESCOc1ccc(CN2CCCNC(C)(C3CC3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-16(14-5-6-14)12-19(9-3-8-18-16)11-13-4-7-15(20-2)17-10-13/h4,7,10,14,18H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyZCXPIHAIVKVDHV-UHFFFAOYSA-N
XLogP2.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane (CID 64950976) is 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane is COc1ccc(CN2CCCNC(C)(C3CC3)C2)cn1.
What is the InChIKey of 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane?
The InChIKey is ZCXPIHAIVKVDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(14-5-6-14)12-19(9-3-8-18-16)11-13-4-7-15(20-2)17-10-13/h4,7,10,14,18H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane?
3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane has a molecular weight of 275.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,4-diazepane is sourced from PubChem (CID 64950976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).