1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide

C16H19N3O4 — CID 121066856

IUPAC1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NCCOc2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C16H19N3O4/c1-3-19-15(20)9-8-14(18-19)16(21)17-10-11-23-13-6-4-12(22-2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,17,21)
InChIKeyZPODSPRZOGYFNP-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.08
Rot. Bonds7

About 1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide

1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 121066856) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID121066856
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NCCOc2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C16H19N3O4/c1-3-19-15(20)9-8-14(18-19)16(21)17-10-11-23-13-6-4-12(22-2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,17,21)
InChIKeyZPODSPRZOGYFNP-UHFFFAOYSA-N
XLogP1.08
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide
CID 26710366
1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide
CID 55803508
N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 37361215
6-N-butan-2-yl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,6-dicarboxamide
CID 109094634
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 121066866
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 46691833
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050625

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide (CID 121066856) is 1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)NCCOc2ccc(OC)cc2)ccc1=O.
What is the InChIKey of 1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is ZPODSPRZOGYFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-19-15(20)9-8-14(18-19)16(21)17-10-11-23-13-6-4-12(22-2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,17,21).
What are the key properties of 1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide?
1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 121066856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).