N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C19H14F3N3O3 — CID 1481273

IUPACN-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C19H14F3N3O3/c1-28-16-8-3-2-7-14(16)23-18(27)17-15(26)9-10-25(24-17)13-6-4-5-12(11-13)19(20,21)22/h2-11H,1H3,(H,23,27)
InChIKeySBEWRLYITXTMHP-UHFFFAOYSA-N
MW389.33 g/mol
LogP3.51
Rot. Bonds4

About N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 1481273) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID1481273
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC NameN-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C19H14F3N3O3/c1-28-16-8-3-2-7-14(16)23-18(27)17-15(26)9-10-25(24-17)13-6-4-5-12(11-13)19(20,21)22/h2-11H,1H3,(H,23,27)
InChIKeySBEWRLYITXTMHP-UHFFFAOYSA-N
XLogP3.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 1481273) is N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is COc1ccccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O.
What is the InChIKey of N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is SBEWRLYITXTMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c1-28-16-8-3-2-7-14(16)23-18(27)17-15(26)9-10-25(24-17)13-6-4-5-12(11-13)19(20,21)22/h2-11H,1H3,(H,23,27).
What are the key properties of N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 389.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 1481273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).