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

C19H14F3N3O4 — CID 1481275

IUPACN-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C19H14F3N3O4/c1-28-16-5-3-2-4-14(16)23-18(27)17-15(26)10-11-25(24-17)12-6-8-13(9-7-12)29-19(20,21)22/h2-11H,1H3,(H,23,27)
InChIKeyLEASBTHLKYODHM-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.39
Rot. Bonds5

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

N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (PubChem CID 1481275) has the molecular formula C19H14F3N3O4 and a molecular weight of 405.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
PubChem CID1481275
Molecular FormulaC19H14F3N3O4
Molecular Weight405.33 g/mol
Exact Mass405.09
IUPAC NameN-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C19H14F3N3O4/c1-28-16-5-3-2-4-14(16)23-18(27)17-15(26)10-11-25(24-17)12-6-8-13(9-7-12)29-19(20,21)22/h2-11H,1H3,(H,23,27)
InChIKeyLEASBTHLKYODHM-UHFFFAOYSA-N
XLogP3.39
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (CID 1481275) is N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is COc1ccccc1NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)ccc1=O.
What is the InChIKey of N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is LEASBTHLKYODHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O4/c1-28-16-5-3-2-4-14(16)23-18(27)17-15(26)10-11-25(24-17)12-6-8-13(9-7-12)29-19(20,21)22/h2-11H,1H3,(H,23,27).
What are the key properties of N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-oxo-1-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 1481275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).