N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide

C19H21N5O2 — CID 122306878

IUPACN-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(-n3cnc(C)c3C)nn2)cc1
InChIInChI=1S/C19H21N5O2/c1-4-5-18(25)21-15-6-8-16(9-7-15)26-19-11-10-17(22-23-19)24-12-20-13(2)14(24)3/h6-12H,4-5H2,1-3H3,(H,21,25)
InChIKeyPOMWIZQGPANVJK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.81
Rot. Bonds6

About N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide (PubChem CID 122306878) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide.

Molecular Properties

Compound NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
PubChem CID122306878
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(-n3cnc(C)c3C)nn2)cc1
InChIInChI=1S/C19H21N5O2/c1-4-5-18(25)21-15-6-8-16(9-7-15)26-19-11-10-17(22-23-19)24-12-20-13(2)14(24)3/h6-12H,4-5H2,1-3H3,(H,21,25)
InChIKeyPOMWIZQGPANVJK-UHFFFAOYSA-N
XLogP3.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122307126
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pentoxybenzamide
CID 122307143
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 122307141
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122307152
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122307035
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea
CID 122306959
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methoxybenzamide
CID 122306895
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]quinoline-2-carboxamide
CID 122307057
2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide
CID 122306929
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide
CID 122307134
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(trifluoromethoxy)benzamide
CID 122307129
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-benzothiophene-2-carboxamide
CID 122307132

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide?
The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide (CID 122306878) is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide.
What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide?
The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide is CCCC(=O)Nc1ccc(Oc2ccc(-n3cnc(C)c3C)nn2)cc1.
What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide?
The InChIKey is POMWIZQGPANVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-5-18(25)21-15-6-8-16(9-7-15)26-19-11-10-17(22-23-19)24-12-20-13(2)14(24)3/h6-12H,4-5H2,1-3H3,(H,21,25).
What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide?
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide has a molecular weight of 351.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide is sourced from PubChem (CID 122306878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).