1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide

C20H26N4O3 — CID 55657872

IUPAC1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)c2ccc(NC(=O)CC)cc2)ccc1=O
InChIInChI=1S/C20H26N4O3/c1-4-6-13-24-19(26)12-11-17(23-24)20(27)21-14(3)15-7-9-16(10-8-15)22-18(25)5-2/h7-12,14H,4-6,13H2,1-3H3,(H,21,27)(H,22,25)
InChIKeySNDNYWAHWPZLMY-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.88
Rot. Bonds8

About 1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide (PubChem CID 55657872) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
PubChem CID55657872
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)c2ccc(NC(=O)CC)cc2)ccc1=O
InChIInChI=1S/C20H26N4O3/c1-4-6-13-24-19(26)12-11-17(23-24)20(27)21-14(3)15-7-9-16(10-8-15)22-18(25)5-2/h7-12,14H,4-6,13H2,1-3H3,(H,21,27)(H,22,25)
InChIKeySNDNYWAHWPZLMY-UHFFFAOYSA-N
XLogP2.88
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 60513317
1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 78775928
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
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-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
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-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30725741
[2-(4-acetamidoanilino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682315

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide (CID 55657872) is 1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)NC(C)c2ccc(NC(=O)CC)cc2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
The InChIKey is SNDNYWAHWPZLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-6-13-24-19(26)12-11-17(23-24)20(27)21-14(3)15-7-9-16(10-8-15)22-18(25)5-2/h7-12,14H,4-6,13H2,1-3H3,(H,21,27)(H,22,25).
What are the key properties of 1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55657872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).