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

C18H23N3O4 — CID 31641773

IUPAC1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)N(C)CCOc2ccc(C)cc2)ccc1=O
InChIInChI=1S/C18H23N3O4/c1-14-4-6-15(7-5-14)25-13-10-20(2)18(23)16-8-9-17(22)21(19-16)11-12-24-3/h4-9H,10-13H2,1-3H3
InChIKeyQUOIGBABWRDBRR-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.35
Rot. Bonds8

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

1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 31641773) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID31641773
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)N(C)CCOc2ccc(C)cc2)ccc1=O
InChIInChI=1S/C18H23N3O4/c1-14-4-6-15(7-5-14)25-13-10-20(2)18(23)16-8-9-17(22)21(19-16)11-12-24-3/h4-9H,10-13H2,1-3H3
InChIKeyQUOIGBABWRDBRR-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 71873234
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 31795511
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
1-(2-methoxyethyl)-N-methyl-6-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 30539309
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 55957270
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818105
N-ethyl-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 115771207
3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 61008268
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide (CID 31641773) is 1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)N(C)CCOc2ccc(C)cc2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is QUOIGBABWRDBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-14-4-6-15(7-5-14)25-13-10-20(2)18(23)16-8-9-17(22)21(19-16)11-12-24-3/h4-9H,10-13H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31641773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).