2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide

C16H24N4O3 — CID 133142435

IUPAC2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide
SMILESCc1ccc(N2C[C@@H](OCC(=O)N(C)C)[C@@H]3OCCC[C@@H]32)nn1
InChIInChI=1S/C16H24N4O3/c1-11-6-7-14(18-17-11)20-9-13(23-10-15(21)19(2)3)16-12(20)5-4-8-22-16/h6-7,12-13,16H,4-5,8-10H2,1-3H3/t12-,13+,16+/m0/s1
InChIKeyFUFGCJIOTXIGPP-WOSRLPQWSA-N
MW320.39 g/mol
LogP0.63
Rot. Bonds4

About 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide

2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide (PubChem CID 133142435) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide
PubChem CID133142435
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide
SMILESCc1ccc(N2C[C@@H](OCC(=O)N(C)C)[C@@H]3OCCC[C@@H]32)nn1
InChIInChI=1S/C16H24N4O3/c1-11-6-7-14(18-17-11)20-9-13(23-10-15(21)19(2)3)16-12(20)5-4-8-22-16/h6-7,12-13,16H,4-5,8-10H2,1-3H3/t12-,13+,16+/m0/s1
InChIKeyFUFGCJIOTXIGPP-WOSRLPQWSA-N
XLogP0.63
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide 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 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide (CID 133142435) is 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide is Cc1ccc(N2C[C@@H](OCC(=O)N(C)C)[C@@H]3OCCC[C@@H]32)nn1.
What is the InChIKey of 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is FUFGCJIOTXIGPP-WOSRLPQWSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-6-7-14(18-17-11)20-9-13(23-10-15(21)19(2)3)16-12(20)5-4-8-22-16/h6-7,12-13,16H,4-5,8-10H2,1-3H3/t12-,13+,16+/m0/s1.
What are the key properties of 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide?
2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 320.39 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 133142435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).