2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide

C17H22N4O3 — CID 102554949

IUPAC2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
SMILESCC(=O)NC(C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1)C(C)C
InChIInChI=1S/C17H22N4O3/c1-10(2)16(18-11(3)22)17(24)19-13-6-4-12(5-7-13)14-8-9-15(23)21-20-14/h4-7,10,16H,8-9H2,1-3H3,(H,18,22)(H,19,24)(H,21,23)
InChIKeyQQBXRUFVECFKPJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.40
Rot. Bonds5

About 2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide

2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide (PubChem CID 102554949) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
PubChem CID102554949
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
SMILESCC(=O)NC(C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1)C(C)C
InChIInChI=1S/C17H22N4O3/c1-10(2)16(18-11(3)22)17(24)19-13-6-4-12(5-7-13)14-8-9-15(23)21-20-14/h4-7,10,16H,8-9H2,1-3H3,(H,18,22)(H,19,24)(H,21,23)
InChIKeyQQBXRUFVECFKPJ-UHFFFAOYSA-N
XLogP1.40
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080
2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide
CID 101148243
2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805018
2-[4-[(2-acetamido-3-methylbutanoyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 13017936
[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl] acetate
CID 70432835
4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide
CID 127412838
3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 10537448
(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 9219372
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 54549412
2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
CID 42907324
2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide
CID 46807379

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide?
The IUPAC name of 2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide (CID 102554949) is 2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide.
What is the SMILES notation for 2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide?
The canonical SMILES for 2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide is CC(=O)NC(C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1)C(C)C.
What is the InChIKey of 2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide?
The InChIKey is QQBXRUFVECFKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)16(18-11(3)22)17(24)19-13-6-4-12(5-7-13)14-8-9-15(23)21-20-14/h4-7,10,16H,8-9H2,1-3H3,(H,18,22)(H,19,24)(H,21,23).
What are the key properties of 2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide?
2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide has a molecular weight of 330.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide is sourced from PubChem (CID 102554949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).