N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide

C17H20N4O3 — CID 18081113

IUPACN-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1=O
InChIInChI=1S/C17H20N4O3/c1-3-4-10-21-16(23)9-8-15(20-21)17(24)19-14-7-5-6-13(11-14)18-12(2)22/h5-9,11H,3-4,10H2,1-2H3,(H,18,22)(H,19,24)
InChIKeyWRTUHBFTURMEAF-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.25
Rot. Bonds6

About N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide

N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide (PubChem CID 18081113) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
PubChem CID18081113
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1=O
InChIInChI=1S/C17H20N4O3/c1-3-4-10-21-16(23)9-8-15(20-21)17(24)19-14-7-5-6-13(11-14)18-12(2)22/h5-9,11H,3-4,10H2,1-2H3,(H,18,22)(H,19,24)
InChIKeyWRTUHBFTURMEAF-UHFFFAOYSA-N
XLogP2.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide
CID 55342870
1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30725741
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide (CID 18081113) is N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1=O.
What is the InChIKey of N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
The InChIKey is WRTUHBFTURMEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-4-10-21-16(23)9-8-15(20-21)17(24)19-14-7-5-6-13(11-14)18-12(2)22/h5-9,11H,3-4,10H2,1-2H3,(H,18,22)(H,19,24).
What are the key properties of N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide?
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18081113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).