N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide

C20H15F3N4O3 — CID 16745818

IUPACN-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnnc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H15F3N4O3/c1-30-17-8-13(7-16(10-17)27-18(28)12-5-6-24-25-11-12)19(29)26-15-4-2-3-14(9-15)20(21,22)23/h2-11H,1H3,(H,26,29)(H,27,28)
InChIKeyRNGPMHWRDUKQAT-UHFFFAOYSA-N
MW416.36 g/mol
LogP4.01
Rot. Bonds5

About N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide

N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide (PubChem CID 16745818) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide
PubChem CID16745818
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC NameN-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnnc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H15F3N4O3/c1-30-17-8-13(7-16(10-17)27-18(28)12-5-6-24-25-11-12)19(29)26-15-4-2-3-14(9-15)20(21,22)23/h2-11H,1H3,(H,26,29)(H,27,28)
InChIKeyRNGPMHWRDUKQAT-UHFFFAOYSA-N
XLogP4.01
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 16745805
3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide
CID 134330495
N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]cinnoline-4-carboxamide
CID 16746140
1-(3-methoxyphenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327136
N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 156904377
N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904396
1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867240
3-methoxy-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
CID 40052095
2,4-difluoro-N-(3-((6-methylpyridazin-3-yl)oxy)phenyl)benzamide
CID 45502848
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 56965868
N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 9909008
N-[3-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide
CID 23649423

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide (CID 16745818) is N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide is COc1cc(NC(=O)c2ccnnc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide?
The InChIKey is RNGPMHWRDUKQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c1-30-17-8-13(7-16(10-17)27-18(28)12-5-6-24-25-11-12)19(29)26-15-4-2-3-14(9-15)20(21,22)23/h2-11H,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide?
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 16745818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).