N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide

C15H11F2N5O2 — CID 109130413

IUPACN-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)no1
InChIInChI=1S/C15H11F2N5O2/c1-8-6-14(22-24-8)19-13-5-4-12(20-21-13)15(23)18-9-2-3-10(16)11(17)7-9/h2-7H,1H3,(H,18,23)(H,19,21,22)
InChIKeyVDJYYRMDIWQJPG-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.05
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide

N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide (PubChem CID 109130413) has the molecular formula C15H11F2N5O2 and a molecular weight of 331.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
PubChem CID109130413
Molecular FormulaC15H11F2N5O2
Molecular Weight331.28 g/mol
Exact Mass331.09
IUPAC NameN-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)no1
InChIInChI=1S/C15H11F2N5O2/c1-8-6-14(22-24-8)19-13-5-4-12(20-21-13)15(23)18-9-2-3-10(16)11(17)7-9/h2-7H,1H3,(H,18,23)(H,19,21,22)
InChIKeyVDJYYRMDIWQJPG-UHFFFAOYSA-N
XLogP3.05
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318857
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109130228
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127862
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109119955
6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109130191
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109129957
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129623
6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109111535

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide (CID 109130413) is N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide is Cc1cc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)no1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
The InChIKey is VDJYYRMDIWQJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O2/c1-8-6-14(22-24-8)19-13-5-4-12(20-21-13)15(23)18-9-2-3-10(16)11(17)7-9/h2-7H,1H3,(H,18,23)(H,19,21,22).
What are the key properties of N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 109130413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).