2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide

C19H21N5O2 — CID 122306127

IUPAC2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-14(4-2)19(25)21-15-5-7-16(8-6-15)26-18-10-9-17(22-23-18)24-12-11-20-13-24/h5-14H,3-4H2,1-2H3,(H,21,25)
InChIKeyZCCCKVCULPIQAJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.83
Rot. Bonds7

About 2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide

2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide (PubChem CID 122306127) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
PubChem CID122306127
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-14(4-2)19(25)21-15-5-7-16(8-6-15)26-18-10-9-17(22-23-18)24-12-11-20-13-24/h5-14H,3-4H2,1-2H3,(H,21,25)
InChIKeyZCCCKVCULPIQAJ-UHFFFAOYSA-N
XLogP3.83
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208
2-ethyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122312976
2-cyclopropyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122306370
1-(2,4-dimethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306212
1-(2-chlorophenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306214
5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide
CID 122306305
1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306221
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butane-1-sulfonamide
CID 122306263
1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306276
3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306150
2-(difluoromethylsulfanyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306366
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide (CID 122306127) is 2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide is CCC(CC)C(=O)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of 2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide?
The InChIKey is ZCCCKVCULPIQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-14(4-2)19(25)21-15-5-7-16(8-6-15)26-18-10-9-17(22-23-18)24-12-11-20-13-24/h5-14H,3-4H2,1-2H3,(H,21,25).
What are the key properties of 2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide?
2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide has a molecular weight of 351.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide is sourced from PubChem (CID 122306127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).