N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C25H25F3N4O3 — CID 46522846

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C25H25F3N4O3/c1-17-13-22(33)23(30-32(17)21-10-6-5-9-20(21)25(26,27)28)24(34)29-14-19-16-31(11-12-35-19)15-18-7-3-2-4-8-18/h2-10,13,19H,11-12,14-16H2,1H3,(H,29,34)
InChIKeyJZRAWOLMFHDFIU-UHFFFAOYSA-N
MW486.49 g/mol
LogP3.19
Rot. Bonds6

About N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 46522846) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID46522846
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C25H25F3N4O3/c1-17-13-22(33)23(30-32(17)21-10-6-5-9-20(21)25(26,27)28)24(34)29-14-19-16-31(11-12-35-19)15-18-7-3-2-4-8-18/h2-10,13,19H,11-12,14-16H2,1H3,(H,29,34)
InChIKeyJZRAWOLMFHDFIU-UHFFFAOYSA-N
XLogP3.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-cyclopropyl-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 38252656
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
N-(2-hydroxypropyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78855377
N-[(4-benzylmorpholin-2-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24640664
6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 48731183
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 51940559
N-[2-[(2-fluorobenzoyl)amino]ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55974052
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 56558876
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 46522846) is N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2CN(Cc3ccccc3)CCO2)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is JZRAWOLMFHDFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c1-17-13-22(33)23(30-32(17)21-10-6-5-9-20(21)25(26,27)28)24(34)29-14-19-16-31(11-12-35-19)15-18-7-3-2-4-8-18/h2-10,13,19H,11-12,14-16H2,1H3,(H,29,34).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 486.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 46522846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).