N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

C15H23N3O4 — CID 91772319

IUPACN-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESCOC[C@@H]1[C@@H](NC(=O)CCC2=NNC(=O)CC2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C15H23N3O4/c1-21-8-11-14(10-6-7-22-15(10)11)16-12(19)4-2-9-3-5-13(20)18-17-9/h10-11,14-15H,2-8H2,1H3,(H,16,19)(H,18,20)/t10-,11+,14-,15-/m0/s1
InChIKeyVKEXDDJWGNAZAJ-JLUCKKNBSA-N
MW309.37 g/mol
LogP0.20
Rot. Bonds6

About N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (PubChem CID 91772319) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
PubChem CID91772319
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESCOC[C@@H]1[C@@H](NC(=O)CCC2=NNC(=O)CC2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C15H23N3O4/c1-21-8-11-14(10-6-7-22-15(10)11)16-12(19)4-2-9-3-5-13(20)18-17-9/h10-11,14-15H,2-8H2,1H3,(H,16,19)(H,18,20)/t10-,11+,14-,15-/m0/s1
InChIKeyVKEXDDJWGNAZAJ-JLUCKKNBSA-N
XLogP0.20
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The IUPAC name of N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (CID 91772319) is N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.
What is the SMILES notation for N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is COC[C@@H]1[C@@H](NC(=O)CCC2=NNC(=O)CC2)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The InChIKey is VKEXDDJWGNAZAJ-JLUCKKNBSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-21-8-11-14(10-6-7-22-15(10)11)16-12(19)4-2-9-3-5-13(20)18-17-9/h10-11,14-15H,2-8H2,1H3,(H,16,19)(H,18,20)/t10-,11+,14-,15-/m0/s1.
What are the key properties of N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 91772319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).