N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide

C22H21N7O2 — CID 122292561

IUPACN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1
InChIInChI=1S/C22H21N7O2/c1-14-13-15(2)29(28-14)20-11-10-19(26-27-20)24-16-6-8-17(9-7-16)25-21(30)18-5-4-12-23-22(18)31-3/h4-13H,1-3H3,(H,24,26)(H,25,30)
InChIKeyMJXOFDNJNQXDAA-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.68
Rot. Bonds6

About N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide

N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 122292561) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide
PubChem CID122292561
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1
InChIInChI=1S/C22H21N7O2/c1-14-13-15(2)29(28-14)20-11-10-19(26-27-20)24-16-6-8-17(9-7-16)25-21(30)18-5-4-12-23-22(18)31-3/h4-13H,1-3H3,(H,24,26)(H,25,30)
InChIKeyMJXOFDNJNQXDAA-UHFFFAOYSA-N
XLogP3.68
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122339313
3-(dimethylamino)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzamide
CID 122292500
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122292449
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylacetamide
CID 122292562
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122292441
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122292452
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
CID 122292555
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 122292474
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-4-methoxybenzenesulfonamide
CID 16802161
2-methoxy-N-(2-methylbenzotriazol-5-yl)pyridine-3-carboxamide
CID 155909000
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146125081

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide (CID 122292561) is N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1.
What is the InChIKey of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is MJXOFDNJNQXDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-14-13-15(2)29(28-14)20-11-10-19(26-27-20)24-16-6-8-17(9-7-16)25-21(30)18-5-4-12-23-22(18)31-3/h4-13H,1-3H3,(H,24,26)(H,25,30).
What are the key properties of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide?
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 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]amino]phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 122292561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).