2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

C25H23F3N4O3 — CID 66635249

IUPAC2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(C(=O)N2CCCCC2)cc1OCc1ccccc1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)21-13-20(23(33)31-18-9-10-29-30-15-18)22(35-16-17-7-3-1-4-8-17)14-19(21)24(34)32-11-5-2-6-12-32/h1,3-4,7-10,13-15H,2,5-6,11-12,16H2,(H,29,31,33)
InChIKeyQEQWBOBNBKHVAA-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.95
Rot. Bonds6

About 2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 66635249) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID66635249
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(C(=O)N2CCCCC2)cc1OCc1ccccc1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)21-13-20(23(33)31-18-9-10-29-30-15-18)22(35-16-17-7-3-1-4-8-17)14-19(21)24(34)32-11-5-2-6-12-32/h1,3-4,7-10,13-15H,2,5-6,11-12,16H2,(H,29,31,33)
InChIKeyQEQWBOBNBKHVAA-UHFFFAOYSA-N
XLogP4.95
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (CID 66635249) is 2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is O=C(Nc1ccnnc1)c1cc(C(F)(F)F)c(C(=O)N2CCCCC2)cc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is QEQWBOBNBKHVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c26-25(27,28)21-13-20(23(33)31-18-9-10-29-30-15-18)22(35-16-17-7-3-1-4-8-17)14-19(21)24(34)32-11-5-2-6-12-32/h1,3-4,7-10,13-15H,2,5-6,11-12,16H2,(H,29,31,33).
What are the key properties of 2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 484.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-4-(piperidine-1-carbonyl)-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 66635249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).