N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

C18H23N3O3 — CID 33302113

IUPACN-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N[C@@H](C)c2ccc(OCC)cc2)ccc1=O
InChIInChI=1S/C18H23N3O3/c1-4-12-21-17(22)11-10-16(20-21)18(23)19-13(3)14-6-8-15(9-7-14)24-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,19,23)/t13-/m0/s1
InChIKeyQMCJKNJXIOHRAC-ZDUSSCGKSA-N
MW329.40 g/mol
LogP2.54
Rot. Bonds7

About N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 33302113) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID33302113
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N[C@@H](C)c2ccc(OCC)cc2)ccc1=O
InChIInChI=1S/C18H23N3O3/c1-4-12-21-17(22)11-10-16(20-21)18(23)19-13(3)14-6-8-15(9-7-14)24-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,19,23)/t13-/m0/s1
InChIKeyQMCJKNJXIOHRAC-ZDUSSCGKSA-N
XLogP2.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 51077267
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide
CID 31211747
1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 78775928
N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43033670
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 55657872
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
CID 31109458
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79253183

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 33302113) is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N[C@@H](C)c2ccc(OCC)cc2)ccc1=O.
What is the InChIKey of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is QMCJKNJXIOHRAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-12-21-17(22)11-10-16(20-21)18(23)19-13(3)14-6-8-15(9-7-14)24-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,19,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 33302113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).