N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C14H14FN3O3 — CID 36676962

IUPACN-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C14H14FN3O3/c1-21-9-8-18-13(19)7-6-12(17-18)14(20)16-11-4-2-10(15)3-5-11/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyTUBQHQCWLQTJHG-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.28
Rot. Bonds5

About N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 36676962) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID36676962
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C14H14FN3O3/c1-21-9-8-18-13(19)7-6-12(17-18)14(20)16-11-4-2-10(15)3-5-11/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyTUBQHQCWLQTJHG-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 37400276
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24512638
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845085
1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide
CID 78927868
1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 55429869
1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 83090099
ethyl (E)-2-cyano-3-[4-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]phenyl]prop-2-enoate
CID 97430318
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 36676962) is N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is TUBQHQCWLQTJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-21-9-8-18-13(19)7-6-12(17-18)14(20)16-11-4-2-10(15)3-5-11/h2-7H,8-9H2,1H3,(H,16,20).
What are the key properties of N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 36676962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).