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

C18H23N3O4 — CID 55957270

IUPACN-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C18H23N3O4/c1-4-25-16-8-6-5-7-14(16)13-20(2)18(23)15-9-10-17(22)21(19-15)11-12-24-3/h5-10H,4,11-13H2,1-3H3
InChIKeyYONWZTAAUFRZKY-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.56
Rot. Bonds8

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

N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 55957270) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID55957270
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C18H23N3O4/c1-4-25-16-8-6-5-7-14(16)13-20(2)18(23)15-9-10-17(22)21(19-15)11-12-24-3/h5-10H,4,11-13H2,1-3H3
InChIKeyYONWZTAAUFRZKY-UHFFFAOYSA-N
XLogP1.56
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60565821
1-(2-methoxyethyl)-N-methyl-6-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 30539309
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46636276
1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 31641773
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818105
1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 55328835
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 31327419
3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 61008268
N-ethyl-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 115771207
N,N-bis(furan-2-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46599486

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide (CID 55957270) is N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide is CCOc1ccccc1CN(C)C(=O)c1ccc(=O)n(CCOC)n1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is YONWZTAAUFRZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-25-16-8-6-5-7-14(16)13-20(2)18(23)15-9-10-17(22)21(19-15)11-12-24-3/h5-10H,4,11-13H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55957270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).