N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide

C22H20N6O3 — CID 122305538

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)c4cccn(C)c4=O)cc3)nn2)n1
InChIInChI=1S/C22H20N6O3/c1-14-13-15(2)28(26-14)19-10-11-20(25-24-19)31-17-8-6-16(7-9-17)23-21(29)18-5-4-12-27(3)22(18)30/h4-13H,1-3H3,(H,23,29)
InChIKeyVJIISNPWBJRYEJ-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.02
Rot. Bonds5

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 122305538) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID122305538
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)c4cccn(C)c4=O)cc3)nn2)n1
InChIInChI=1S/C22H20N6O3/c1-14-13-15(2)28(26-14)19-10-11-20(25-24-19)31-17-8-6-16(7-9-17)23-21(29)18-5-4-12-27(3)22(18)30/h4-13H,1-3H3,(H,23,29)
InChIKeyVJIISNPWBJRYEJ-UHFFFAOYSA-N
XLogP3.02
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]furan-2-carboxamide
CID 122305413
4-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305395
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,2-oxazole-5-carboxamide
CID 122305535
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzamide
CID 122305386
1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305448
1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305444
4-cyano-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305592
4-bromo-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122305626
2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-6-fluorobenzamide
CID 122305398
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide
CID 122305368
2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-nitrobenzamide
CID 122305733

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 122305538) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)c4cccn(C)c4=O)cc3)nn2)n1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VJIISNPWBJRYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-14-13-15(2)28(26-14)19-10-11-20(25-24-19)31-17-8-6-16(7-9-17)23-21(29)18-5-4-12-27(3)22(18)30/h4-13H,1-3H3,(H,23,29).
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 122305538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).