N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide

C15H15Cl2N3O2 — CID 95346590

IUPACN-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O2/c1-2-3-12(9-4-5-10(16)11(17)8-9)18-15(22)13-6-7-14(21)20-19-13/h4-8,12H,2-3H2,1H3,(H,18,22)(H,20,21)/t12-/m1/s1
InChIKeyMCOQFAIYTZFBJZ-GFCCVEGCSA-N
MW340.21 g/mol
LogP3.35
Rot. Bonds5

About N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 95346590) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID95346590
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC NameN-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O2/c1-2-3-12(9-4-5-10(16)11(17)8-9)18-15(22)13-6-7-14(21)20-19-13/h4-8,12H,2-3H2,1H3,(H,18,22)(H,20,21)/t12-/m1/s1
InChIKeyMCOQFAIYTZFBJZ-GFCCVEGCSA-N
XLogP3.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide
CID 95153673
6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide
CID 108793483
N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42893197
N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103942956
N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94198841
6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 115735908
N-[(1S)-1-naphthalen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38619235
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide
CID 86899014
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95967246
N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 56822052

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 95346590) is N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide is CCC[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MCOQFAIYTZFBJZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-2-3-12(9-4-5-10(16)11(17)8-9)18-15(22)13-6-7-14(21)20-19-13/h4-8,12H,2-3H2,1H3,(H,18,22)(H,20,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 95346590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).