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

C15H24N4O3 — CID 91760216

IUPACN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESCN(C)[C@@H]1[C@@H](NC(=O)CCC2=NNC(=O)CC2)[C@H]2CCO[C@H]21
InChIInChI=1S/C15H24N4O3/c1-19(2)14-13(10-7-8-22-15(10)14)16-11(20)5-3-9-4-6-12(21)18-17-9/h10,13-15H,3-8H2,1-2H3,(H,16,20)(H,18,21)/t10-,13+,14-,15-/m1/s1
InChIKeyPAMZDUZIYLPVCI-AQNFWKISSA-N
MW308.38 g/mol
LogP-0.13
Rot. Bonds5

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

N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (PubChem CID 91760216) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
PubChem CID91760216
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESCN(C)[C@@H]1[C@@H](NC(=O)CCC2=NNC(=O)CC2)[C@H]2CCO[C@H]21
InChIInChI=1S/C15H24N4O3/c1-19(2)14-13(10-7-8-22-15(10)14)16-11(20)5-3-9-4-6-12(21)18-17-9/h10,13-15H,3-8H2,1-2H3,(H,16,20)(H,18,21)/t10-,13+,14-,15-/m1/s1
InChIKeyPAMZDUZIYLPVCI-AQNFWKISSA-N
XLogP-0.13
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5R,6S,7R)-7-(dimethylamino)-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-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (CID 91760216) is N-[(1R,5R,6S,7R)-7-(dimethylamino)-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-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is CN(C)[C@@H]1[C@@H](NC(=O)CCC2=NNC(=O)CC2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The InChIKey is PAMZDUZIYLPVCI-AQNFWKISSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-19(2)14-13(10-7-8-22-15(10)14)16-11(20)5-3-9-4-6-12(21)18-17-9/h10,13-15H,3-8H2,1-2H3,(H,16,20)(H,18,21)/t10-,13+,14-,15-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide has a molecular weight of 308.38 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 91760216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).