4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide

C17H18Cl2N4O2 — CID 75083596

IUPAC4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
SMILESCON=C(CCC(=O)Nc1ncc(C)nc1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N4O2/c1-10-9-20-17(11(2)21-10)22-16(24)7-6-15(23-25-3)12-4-5-13(18)14(19)8-12/h4-5,8-9H,6-7H2,1-3H3,(H,20,22,24)
InChIKeySLWWZZOQXUZCEO-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.17
Rot. Bonds6

About 4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide

4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide (PubChem CID 75083596) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
PubChem CID75083596
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
SMILESCON=C(CCC(=O)Nc1ncc(C)nc1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N4O2/c1-10-9-20-17(11(2)21-10)22-16(24)7-6-15(23-25-3)12-4-5-13(18)14(19)8-12/h4-5,8-9H,6-7H2,1-3H3,(H,20,22,24)
InChIKeySLWWZZOQXUZCEO-UHFFFAOYSA-N
XLogP4.17
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(6-methyl-3-pyridinyl)pentan-2-one
CID 58436814
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
CID 58436870
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide
CID 45101407
(5E)-5-(3,4-dichlorophenyl)-1-(2,4-dimethyl-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 58436802
cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
CID 75083508
(4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide
CID 138593531
5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 76785955
N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
CID 75083635
4-(3-chloro-4-ethylphenyl)-4-methoxyiminobutanoic acid
CID 90932224

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide (CID 75083596) is 4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide is CON=C(CCC(=O)Nc1ncc(C)nc1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide?
The InChIKey is SLWWZZOQXUZCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-10-9-20-17(11(2)21-10)22-16(24)7-6-15(23-25-3)12-4-5-13(18)14(19)8-12/h4-5,8-9H,6-7H2,1-3H3,(H,20,22,24).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide?
4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide has a molecular weight of 381.26 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide is sourced from PubChem (CID 75083596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).