3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione

C15H19N3O3 — CID 64884429

IUPAC3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
SMILESCOc1cccc(CN2CCC(=O)NC(C3CC3)C2=O)n1
InChIInChI=1S/C15H19N3O3/c1-21-13-4-2-3-11(16-13)9-18-8-7-12(19)17-14(15(18)20)10-5-6-10/h2-4,10,14H,5-9H2,1H3,(H,17,19)
InChIKeyCNBUYPZQFOYQGE-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.72
Rot. Bonds4

About 3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione

3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 64884429) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
PubChem CID64884429
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
SMILESCOc1cccc(CN2CCC(=O)NC(C3CC3)C2=O)n1
InChIInChI=1S/C15H19N3O3/c1-21-13-4-2-3-11(16-13)9-18-8-7-12(19)17-14(15(18)20)10-5-6-10/h2-4,10,14H,5-9H2,1H3,(H,17,19)
InChIKeyCNBUYPZQFOYQGE-UHFFFAOYSA-N
XLogP0.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-(pyridazin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 106897973
3-cyclopropyl-1-[(2-ethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64973634
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64882286
3-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64882673
3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 64883838
1-[(6-methoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 64879597
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 64968881
1-[(2-chloro-4-methylphenyl)methyl]-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 106870478
3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
CID 64963843
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 63992335

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione (CID 64884429) is 3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione is COc1cccc(CN2CCC(=O)NC(C3CC3)C2=O)n1.
What is the InChIKey of 3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is CNBUYPZQFOYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-13-4-2-3-11(16-13)9-18-8-7-12(19)17-14(15(18)20)10-5-6-10/h2-4,10,14H,5-9H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione?
3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione has a molecular weight of 289.33 g/mol, XLogP of 0.72, 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-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64884429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).