1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide

C16H16F3N3O4 — CID 17396464

IUPAC1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C16H16F3N3O4/c1-25-9-8-22-14(23)7-6-13(21-22)15(24)20-10-11-2-4-12(5-3-11)26-16(17,18)19/h2-7H,8-10H2,1H3,(H,20,24)
InChIKeyUXWNQGRLMQTBHD-UHFFFAOYSA-N
MW371.32 g/mol
LogP1.72
Rot. Bonds7

About 1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide (PubChem CID 17396464) has the molecular formula C16H16F3N3O4 and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
PubChem CID17396464
Molecular FormulaC16H16F3N3O4
Molecular Weight371.32 g/mol
Exact Mass371.11
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C16H16F3N3O4/c1-25-9-8-22-14(23)7-6-13(21-22)15(24)20-10-11-2-4-12(5-3-11)26-16(17,18)19/h2-7H,8-10H2,1H3,(H,20,24)
InChIKeyUXWNQGRLMQTBHD-UHFFFAOYSA-N
XLogP1.72
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 46691833
6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 30293285
N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 71899922
N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-(2-methoxyethyl)-N'-[2-(4-methoxyphenyl)acetyl]-6-oxopyridazine-3-carbohydrazide
CID 24553901
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
N-(2-hydroxy-2-methylbutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65114524
2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 66172187
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide (CID 17396464) is 1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide is COCCn1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The InChIKey is UXWNQGRLMQTBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O4/c1-25-9-8-22-14(23)7-6-13(21-22)15(24)20-10-11-2-4-12(5-3-11)26-16(17,18)19/h2-7H,8-10H2,1H3,(H,20,24).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide has a molecular weight of 371.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 17396464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).