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

C14H14FN3O3 — CID 37361215

IUPACN-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCOc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C14H14FN3O3/c1-18-13(19)7-6-12(17-18)14(20)16-8-9-21-11-4-2-10(15)3-5-11/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyCYLSYHZPKSNSSS-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.73
Rot. Bonds5

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

N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 37361215) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID37361215
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCOc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C14H14FN3O3/c1-18-13(19)7-6-12(17-18)14(20)16-8-9-21-11-4-2-10(15)3-5-11/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyCYLSYHZPKSNSSS-UHFFFAOYSA-N
XLogP0.73
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-1-methyltriazole-4-carboxamide
CID 45497185
1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 121066856
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51201885
1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide
CID 55803508
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71998964
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90515938
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90577594
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 37361215) is N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCCOc2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is CYLSYHZPKSNSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-18-13(19)7-6-12(17-18)14(20)16-8-9-21-11-4-2-10(15)3-5-11/h2-7H,8-9H2,1H3,(H,16,20).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 37361215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).