N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C17H21N3O4 — CID 119052898

IUPACN-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(C(COC)NC(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C17H21N3O4/c1-4-24-13-7-5-12(6-8-13)15(11-23-3)18-17(22)14-9-10-16(21)20(2)19-14/h5-10,15H,4,11H2,1-3H3,(H,18,22)
InChIKeyPZLZKRYKYCPCOC-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.30
Rot. Bonds7

About N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 119052898) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID119052898
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(C(COC)NC(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C17H21N3O4/c1-4-24-13-7-5-12(6-8-13)15(11-23-3)18-17(22)14-9-10-16(21)20(2)19-14/h5-10,15H,4,11H2,1-3H3,(H,18,22)
InChIKeyPZLZKRYKYCPCOC-UHFFFAOYSA-N
XLogP1.30
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide
CID 100646270
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]pyrazine-2-carboxamide
CID 124854277
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide
CID 124730066
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55799758
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 113264465
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
3-(4-tert-butylphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 119209886
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
CID 124847644
3-(3,4-dimethoxyphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 45432925
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 119052898) is N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide is CCOc1ccc(C(COC)NC(=O)c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is PZLZKRYKYCPCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-24-13-7-5-12(6-8-13)15(11-23-3)18-17(22)14-9-10-16(21)20(2)19-14/h5-10,15H,4,11H2,1-3H3,(H,18,22).
What are the key properties of N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 119052898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).