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

C19H17FN4O3 — CID 51054789

IUPAC2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)n3)n2)c(F)c1
InChIInChI=1S/C19H17FN4O3/c1-12-4-3-5-17(21-12)22-18(25)11-24-19(26)9-8-16(23-24)14-7-6-13(27-2)10-15(14)20/h3-10H,11H2,1-2H3,(H,21,22,25)
InChIKeyLUMRHZYAMBMTOM-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.40
Rot. Bonds5

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

2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 51054789) 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-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID51054789
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)n3)n2)c(F)c1
InChIInChI=1S/C19H17FN4O3/c1-12-4-3-5-17(21-12)22-18(25)11-24-19(26)9-8-16(23-24)14-7-6-13(27-2)10-15(14)20/h3-10H,11H2,1-2H3,(H,21,22,25)
InChIKeyLUMRHZYAMBMTOM-UHFFFAOYSA-N
XLogP2.40
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2E)-2-cyano-3-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 5548035
(E)-N-(2-{[(2-Dimethylamino-ethyl)-methyl-amino]-methyl}-quinolin-6-yl)-3-(4-trifluoromethoxy-phenyl)-acrylamide
CID 11568782
N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24830706
2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24996325
6-(3,4-difluorophenyl)-4-(4-methoxybenzyl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272848
6-(4-fluorophenyl)-4-(4-methoxybenzyl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273795
(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
CID 57404708
(2S)-2-acetamido-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
CID 57407169
(2S)-2-acetamido-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-phenylpropanamide
CID 57407346
(2S)-2-(tert-butylcarbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
CID 67981901
3-(4-methoxyphenyl)-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 3423835
(E)-3-[3-(4-fluorophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-b]pyridazin-6-yl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 44591200

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide (CID 51054789) is 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)n3)n2)c(F)c1.
What is the InChIKey of 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is LUMRHZYAMBMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-12-4-3-5-17(21-12)22-18(25)11-24-19(26)9-8-16(23-24)14-7-6-13(27-2)10-15(14)20/h3-10H,11H2,1-2H3,(H,21,22,25).
What are the key properties of 2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 368.37 g/mol, XLogP of 2.40, 5 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-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 51054789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).