N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide

C19H15F2N3O3 — CID 8555401

IUPACN-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H15F2N3O3/c1-11-5-3-4-6-15(11)24-17(25)10-16(27-2)18(23-24)19(26)22-14-9-12(20)7-8-13(14)21/h3-10H,1-2H3,(H,22,26)
InChIKeyYJQXFTNPGMNEMT-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.08
Rot. Bonds4

About N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide

N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 8555401) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID8555401
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC NameN-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H15F2N3O3/c1-11-5-3-4-6-15(11)24-17(25)10-16(27-2)18(23-24)19(26)22-14-9-12(20)7-8-13(14)21/h3-10H,1-2H3,(H,22,26)
InChIKeyYJQXFTNPGMNEMT-UHFFFAOYSA-N
XLogP3.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 8555401) is N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is YJQXFTNPGMNEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-11-5-3-4-6-15(11)24-17(25)10-16(27-2)18(23-24)19(26)22-14-9-12(20)7-8-13(14)21/h3-10H,1-2H3,(H,22,26).
What are the key properties of N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide?
N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 371.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8555401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).