N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide

C20H16F3N3O2 — CID 25118641

IUPACN-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide
SMILESCOc1cc(F)cc(F)c1CN(C(=O)c1ccnnc1)c1ccc(F)cc1C
InChIInChI=1S/C20H16F3N3O2/c1-12-7-14(21)3-4-18(12)26(20(27)13-5-6-24-25-10-13)11-16-17(23)8-15(22)9-19(16)28-2/h3-10H,11H2,1-2H3
InChIKeyUIQYOQQZNDYHRT-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.06
Rot. Bonds5

About N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide

N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide (PubChem CID 25118641) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide
PubChem CID25118641
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide
SMILESCOc1cc(F)cc(F)c1CN(C(=O)c1ccnnc1)c1ccc(F)cc1C
InChIInChI=1S/C20H16F3N3O2/c1-12-7-14(21)3-4-18(12)26(20(27)13-5-6-24-25-10-13)11-16-17(23)8-15(22)9-19(16)28-2/h3-10H,11H2,1-2H3
InChIKeyUIQYOQQZNDYHRT-UHFFFAOYSA-N
XLogP4.06
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide?
The IUPAC name of N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide (CID 25118641) is N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide is COc1cc(F)cc(F)c1CN(C(=O)c1ccnnc1)c1ccc(F)cc1C.
What is the InChIKey of N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide?
The InChIKey is UIQYOQQZNDYHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-12-7-14(21)3-4-18(12)26(20(27)13-5-6-24-25-10-13)11-16-17(23)8-15(22)9-19(16)28-2/h3-10H,11H2,1-2H3.
What are the key properties of N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide?
N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 25118641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).