N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide

C15H16Cl2N4O2 — CID 51266108

IUPACN-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1=O
InChIInChI=1S/C15H16Cl2N4O2/c1-2-3-6-21-13(22)5-4-12(20-21)15(23)19-9-7-10(16)14(18)11(17)8-9/h4-5,7-8H,2-3,6,18H2,1H3,(H,19,23)
InChIKeyFTGCAGGSAPAEID-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.18
Rot. Bonds5

About N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide

N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide (PubChem CID 51266108) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
PubChem CID51266108
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1=O
InChIInChI=1S/C15H16Cl2N4O2/c1-2-3-6-21-13(22)5-4-12(20-21)15(23)19-9-7-10(16)14(18)11(17)8-9/h4-5,7-8H,2-3,6,18H2,1H3,(H,19,23)
InChIKeyFTGCAGGSAPAEID-UHFFFAOYSA-N
XLogP3.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30725741
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984
N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 30730757

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide (CID 51266108) is N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1=O.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
The InChIKey is FTGCAGGSAPAEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c1-2-3-6-21-13(22)5-4-12(20-21)15(23)19-9-7-10(16)14(18)11(17)8-9/h4-5,7-8H,2-3,6,18H2,1H3,(H,19,23).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51266108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).