N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide

C18H14F2N4O2 — CID 121052772

IUPACN-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccncc2)ccc1=O)NCc1c(F)cccc1F
InChIInChI=1S/C18H14F2N4O2/c19-14-2-1-3-15(20)13(14)10-22-17(25)11-24-18(26)5-4-16(23-24)12-6-8-21-9-7-12/h1-9H,10-11H2,(H,22,25)
InChIKeyKXHRTRHMUSJQNW-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.90
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide

N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide (PubChem CID 121052772) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
PubChem CID121052772
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccncc2)ccc1=O)NCc1c(F)cccc1F
InChIInChI=1S/C18H14F2N4O2/c19-14-2-1-3-15(20)13(14)10-22-17(25)11-24-18(26)5-4-16(23-24)12-6-8-21-9-7-12/h1-9H,10-11H2,(H,22,25)
InChIKeyKXHRTRHMUSJQNW-UHFFFAOYSA-N
XLogP1.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 121051414
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052709
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052827
N-(2,3-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052763
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 122278125
N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55829227
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 51054627
N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063662
N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide (CID 121052772) is N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccncc2)ccc1=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The InChIKey is KXHRTRHMUSJQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-14-2-1-3-15(20)13(14)10-22-17(25)11-24-18(26)5-4-16(23-24)12-6-8-21-9-7-12/h1-9H,10-11H2,(H,22,25).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide has a molecular weight of 356.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121052772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).