2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

C25H25F3N4O2 — CID 66635622

IUPAC2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(CN2CCCCC2)cc1OCc1ccccc1
InChIInChI=1S/C25H25F3N4O2/c26-25(27,28)22-14-21(24(33)31-20-9-10-29-30-15-20)23(34-17-18-7-3-1-4-8-18)13-19(22)16-32-11-5-2-6-12-32/h1,3-4,7-10,13-15H,2,5-6,11-12,16-17H2,(H,29,31,33)
InChIKeyZGBITSVINYLREK-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.31
Rot. Bonds7

About 2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 66635622) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID66635622
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(CN2CCCCC2)cc1OCc1ccccc1
InChIInChI=1S/C25H25F3N4O2/c26-25(27,28)22-14-21(24(33)31-20-9-10-29-30-15-20)23(34-17-18-7-3-1-4-8-18)13-19(22)16-32-11-5-2-6-12-32/h1,3-4,7-10,13-15H,2,5-6,11-12,16-17H2,(H,29,31,33)
InChIKeyZGBITSVINYLREK-UHFFFAOYSA-N
XLogP5.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
CID 67108013
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-(ethylaminomethyl)-3-(trifluoromethyl)benzamide
CID 90456422
N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-(methylaminomethyl)-3-(trifluoromethyl)benzamide
CID 90456763
4-[2-carbamoyl-4-(1-methylpyrazol-4-yl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 145970062
5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155511660
5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155511739
2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide
CID 155514319
2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide
CID 155516354
5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155516586
5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155519454

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (CID 66635622) is 2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is O=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(CN2CCCCC2)cc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is ZGBITSVINYLREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c26-25(27,28)22-14-21(24(33)31-20-9-10-29-30-15-20)23(34-17-18-7-3-1-4-8-18)13-19(22)16-32-11-5-2-6-12-32/h1,3-4,7-10,13-15H,2,5-6,11-12,16-17H2,(H,29,31,33).
What are the key properties of 2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 470.50 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-4-(piperidin-1-ylmethyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 66635622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).