N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide

C25H22F2N4O2 — CID 171635621

IUPACN-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide
SMILESCC1=CN(c2cc(Oc3cccc(C(=O)NCc4cc(F)cc(F)c4)c3C)ccn2)N=CC1
InChIInChI=1S/C25H22F2N4O2/c1-16-6-9-30-31(15-16)24-13-21(7-8-28-24)33-23-5-3-4-22(17(23)2)25(32)29-14-18-10-19(26)12-20(27)11-18/h3-5,7-13,15H,6,14H2,1-2H3,(H,29,32)
InChIKeyAWYBEWFSHDTJLS-UHFFFAOYSA-N
MW448.47 g/mol
LogP5.49
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide

N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide (PubChem CID 171635621) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide
PubChem CID171635621
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide
SMILESCC1=CN(c2cc(Oc3cccc(C(=O)NCc4cc(F)cc(F)c4)c3C)ccn2)N=CC1
InChIInChI=1S/C25H22F2N4O2/c1-16-6-9-30-31(15-16)24-13-21(7-8-28-24)33-23-5-3-4-22(17(23)2)25(32)29-14-18-10-19(26)12-20(27)11-18/h3-5,7-13,15H,6,14H2,1-2H3,(H,29,32)
InChIKeyAWYBEWFSHDTJLS-UHFFFAOYSA-N
XLogP5.49
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(3-methylanilino)-4-pyridinyl]oxy]benzamide
CID 171635380
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635993
N-[(3,5-difluorophenyl)methyl]-3-[[2-(6-fluoro-3-pyridinyl)-4-pyridinyl]oxy]-2-methylbenzamide
CID 171634914
N-[4-[3-[(3,5-difluorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 171635206
N-[(3,5-difluorophenyl)methyl]-3-[[2-[[(Z,2E)-2-ethylidenepent-3-enoyl]amino]-4-pyridinyl]oxy]-2-methylbenzamide;ethane
CID 171635153
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635810
3-[[2-[1-(2-cyanoethyl)pyrrol-3-yl]-4-pyridinyl]oxy]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide
CID 171635011
N-[(3,5-difluorophenyl)methyl]-3-[[2-[3-[(1Z)-1-(dimethylamino)buta-1,3-dienyl]phenyl]-4-pyridinyl]oxy]-2-methylbenzamide
CID 171635038
N-[(4-fluorophenyl)methyl]-2-methyl-3-[[2-[(E)-1-methyliminobut-2-en-2-yl]-4-pyridinyl]oxy]benzamide
CID 171635273
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)oxy]benzamide
CID 171635999
N-[(3,4-difluorophenyl)methyl]-3-[[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-pyridinyl]oxy]-2-methylbenzamide;ethane
CID 171634936
N-[(3,5-difluorophenyl)methyl]-1-[2-methyl-3-[[2-(2-propan-2-yl-1,5-dihydropyrazol-4-yl)-4-pyridinyl]oxy]phenyl]ethenamine
CID 171635118

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide (CID 171635621) is N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide is CC1=CN(c2cc(Oc3cccc(C(=O)NCc4cc(F)cc(F)c4)c3C)ccn2)N=CC1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide?
The InChIKey is AWYBEWFSHDTJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c1-16-6-9-30-31(15-16)24-13-21(7-8-28-24)33-23-5-3-4-22(17(23)2)25(32)29-14-18-10-19(26)12-20(27)11-18/h3-5,7-13,15H,6,14H2,1-2H3,(H,29,32).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide?
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide has a molecular weight of 448.47 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 171635621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).