2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C19H17FN4O3 — CID 51044964

IUPAC2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)NCc3cccnc3)n2)c(F)c1
InChIInChI=1S/C19H17FN4O3/c1-27-14-4-5-15(16(20)9-14)17-6-7-19(26)24(23-17)12-18(25)22-11-13-3-2-8-21-10-13/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyGXGCAIHHASAHSA-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.77
Rot. Bonds6

About 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 51044964) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID51044964
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)NCc3cccnc3)n2)c(F)c1
InChIInChI=1S/C19H17FN4O3/c1-27-14-4-5-15(16(20)9-14)17-6-7-19(26)24(23-17)12-18(25)22-11-13-3-2-8-21-10-13/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyGXGCAIHHASAHSA-UHFFFAOYSA-N
XLogP1.77
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)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 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 51044964) is 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)NCc3cccnc3)n2)c(F)c1.
What is the InChIKey of 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is GXGCAIHHASAHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-27-14-4-5-15(16(20)9-14)17-6-7-19(26)24(23-17)12-18(25)22-11-13-3-2-8-21-10-13/h2-10H,11-12H2,1H3,(H,22,25).
What are the key properties of 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 368.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 51044964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).