N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C16H19N3O4 — CID 35811130

IUPACN-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C16H19N3O4/c1-22-11-9-17-16(21)14-7-8-15(20)19(18-14)10-12-23-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,17,21)
InChIKeyIGYOEEFJVOSZMX-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.70
Rot. Bonds8

About N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 35811130) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID35811130
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C16H19N3O4/c1-22-11-9-17-16(21)14-7-8-15(20)19(18-14)10-12-23-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,17,21)
InChIKeyIGYOEEFJVOSZMX-UHFFFAOYSA-N
XLogP0.70
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.70
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-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743
6-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 49395200
N-[(2-methoxy-3-pyridinyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38535069
6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 32983278
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55572205

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 35811130) is N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is COCCNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is IGYOEEFJVOSZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-22-11-9-17-16(21)14-7-8-15(20)19(18-14)10-12-23-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,17,21).
What are the key properties of N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 35811130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).