1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide

C17H20ClN3O2 — CID 78775928

IUPAC1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C17H20ClN3O2/c1-3-4-11-21-16(22)10-9-15(20-21)17(23)19-12(2)13-5-7-14(18)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,19,23)
InChIKeyYOKAMOWMFJUSQW-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.19
Rot. Bonds6

About 1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 78775928) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID78775928
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C17H20ClN3O2/c1-3-4-11-21-16(22)10-9-15(20-21)17(23)19-12(2)13-5-7-14(18)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,19,23)
InChIKeyYOKAMOWMFJUSQW-UHFFFAOYSA-N
XLogP3.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 55657872
1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 60513317
1-butyl-6-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazine-3-carboxamide
CID 51197671
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113
N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 51077267
1-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 79246006
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide
CID 78778121
1-butyl-6-oxo-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyridazine-3-carboxamide
CID 55416398
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide (CID 78775928) is 1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NC(C)c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is YOKAMOWMFJUSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-3-4-11-21-16(22)10-9-15(20-21)17(23)19-12(2)13-5-7-14(18)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,19,23).
What are the key properties of 1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 78775928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).