N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide

C17H19FN4O4 — CID 147534844

IUPACN-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2ccc(OCC3(F)COC3)nc2)ccc1=O
InChIInChI=1S/C17H19FN4O4/c1-2-19-14(23)8-22-16(24)6-4-13(21-22)12-3-5-15(20-7-12)26-11-17(18)9-25-10-17/h3-7H,2,8-11H2,1H3,(H,19,23)
InChIKeyFNTKLZPYGHYKSA-UHFFFAOYSA-N
MW362.36 g/mol
LogP0.56
Rot. Bonds7

About N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide

N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 147534844) has the molecular formula C17H19FN4O4 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
PubChem CID147534844
Molecular FormulaC17H19FN4O4
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC NameN-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2ccc(OCC3(F)COC3)nc2)ccc1=O
InChIInChI=1S/C17H19FN4O4/c1-2-19-14(23)8-22-16(24)6-4-13(21-22)12-3-5-15(20-7-12)26-11-17(18)9-25-10-17/h3-7H,2,8-11H2,1H3,(H,19,23)
InChIKeyFNTKLZPYGHYKSA-UHFFFAOYSA-N
XLogP0.56
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide 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 N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (CID 147534844) is N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide is CCNC(=O)Cn1nc(-c2ccc(OCC3(F)COC3)nc2)ccc1=O.
What is the InChIKey of N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
The InChIKey is FNTKLZPYGHYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4/c1-2-19-14(23)8-22-16(24)6-4-13(21-22)12-3-5-15(20-7-12)26-11-17(18)9-25-10-17/h3-7H,2,8-11H2,1H3,(H,19,23).
What are the key properties of N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 362.36 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 147534844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).