3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide

C20H18F3N3O3 — CID 171678971

IUPAC3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)ccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O3/c1-11-9-17(27)25-26-18(11)12-3-6-14(7-4-12)24-19(28)13-5-8-15(20(21,22)23)16(10-13)29-2/h3-8,10-11H,9H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyASDLEWKZFVWJGF-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.83
Rot. Bonds4

About 3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide

3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 171678971) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID171678971
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)ccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O3/c1-11-9-17(27)25-26-18(11)12-3-6-14(7-4-12)24-19(28)13-5-8-15(20(21,22)23)16(10-13)29-2/h3-8,10-11H,9H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyASDLEWKZFVWJGF-UHFFFAOYSA-N
XLogP3.83
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 23647030
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide
CID 20765693
formic acid;3-[4-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 171679045
4-(4-methoxyphenyl)-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 142082466
3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70599674
(4R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 171679016
2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 142082421
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide
CID 20765694
(4R)-3-[4-[3,5-bis(trifluoromethyl)anilino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 171679025
2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740392
2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740395

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 171678971) is 3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide is COc1cc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)ccc1C(F)(F)F.
What is the InChIKey of 3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ASDLEWKZFVWJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-11-9-17(27)25-26-18(11)12-3-6-14(7-4-12)24-19(28)13-5-8-15(20(21,22)23)16(10-13)29-2/h3-8,10-11H,9H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 405.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 171678971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).