N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide

C17H21N3O3 — CID 91938943

IUPACN-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O
InChIInChI=1S/C17H21N3O3/c1-3-4-10-18-15(21)12-20-16(22)11-14(23-2)17(19-20)13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3,(H,18,21)
InChIKeyWTCGRWLEXVSQJT-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.84
Rot. Bonds7

About N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide

N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 91938943) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID91938943
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O
InChIInChI=1S/C17H21N3O3/c1-3-4-10-18-15(21)12-20-16(22)11-14(23-2)17(19-20)13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3,(H,18,21)
InChIKeyWTCGRWLEXVSQJT-UHFFFAOYSA-N
XLogP1.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
CID 91938956
N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830851
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938934
N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 91954627
3-[[2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 91954798
2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71830904
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938931
2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one
CID 97458800
N-(2-methoxyethyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830846
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 91938943) is N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide is CCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O.
What is the InChIKey of N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is WTCGRWLEXVSQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-4-10-18-15(21)12-20-16(22)11-14(23-2)17(19-20)13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3,(H,18,21).
What are the key properties of N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 91938943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).