N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C20H24N6O3 — CID 46393453

IUPACN-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1
InChIInChI=1S/C20H24N6O3/c1-3-25(4-2)13-12-21-19(28)20-22-17(24-29-20)14-26-18(27)11-10-16(23-26)15-8-6-5-7-9-15/h5-11H,3-4,12-14H2,1-2H3,(H,21,28)
InChIKeyPFQNNZPDQIBUOB-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.41
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 46393453) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID46393453
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1
InChIInChI=1S/C20H24N6O3/c1-3-25(4-2)13-12-21-19(28)20-22-17(24-29-20)14-26-18(27)11-10-16(23-26)15-8-6-5-7-9-15/h5-11H,3-4,12-14H2,1-2H3,(H,21,28)
InChIKeyPFQNNZPDQIBUOB-UHFFFAOYSA-N
XLogP1.41
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 50836657
3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 46393492
N-[3-(azepan-1-yl)propyl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 46393489
3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 50836496
N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50836384
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 92884725
2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
2-[[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one
CID 50836492
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082817
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 46393453) is N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CCN(CC)CCNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is PFQNNZPDQIBUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-3-25(4-2)13-12-21-19(28)20-22-17(24-29-20)14-26-18(27)11-10-16(23-26)15-8-6-5-7-9-15/h5-11H,3-4,12-14H2,1-2H3,(H,21,28).
What are the key properties of N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 46393453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).