1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide

C21H23N3O2 — CID 78778121

IUPAC1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)c2cccc3ccccc23)ccc1=O
InChIInChI=1S/C21H23N3O2/c1-3-4-14-24-20(25)13-12-19(23-24)21(26)22-15(2)17-11-7-9-16-8-5-6-10-18(16)17/h5-13,15H,3-4,14H2,1-2H3,(H,22,26)
InChIKeyDFPPFZPUGKCNFT-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.69
Rot. Bonds6

About 1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 78778121) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide
PubChem CID78778121
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)c2cccc3ccccc23)ccc1=O
InChIInChI=1S/C21H23N3O2/c1-3-4-14-24-20(25)13-12-19(23-24)21(26)22-15(2)17-11-7-9-16-8-5-6-10-18(16)17/h5-13,15H,3-4,14H2,1-2H3,(H,22,26)
InChIKeyDFPPFZPUGKCNFT-UHFFFAOYSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 78775928
1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 60513317
1-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 79246006
1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 55657872
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256857
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide
CID 115409703
1-butyl-6-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazine-3-carboxamide
CID 51197671

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide (CID 78778121) is 1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NC(C)c2cccc3ccccc23)ccc1=O.
What is the InChIKey of 1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is DFPPFZPUGKCNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-4-14-24-20(25)13-12-19(23-24)21(26)22-15(2)17-11-7-9-16-8-5-6-10-18(16)17/h5-13,15H,3-4,14H2,1-2H3,(H,22,26).
What are the key properties of 1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.69, 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-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 78778121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).