3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide

C14H14FN3O2 — CID 136905895

IUPAC3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H14FN3O2/c1-3-12-10(6-8(2)17-18-12)14(20)16-9-4-5-13(19)11(15)7-9/h4-7,19H,3H2,1-2H3,(H,16,20)
InChIKeyGAPBYVBELANJOB-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.44
Rot. Bonds3

About 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide

3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide (PubChem CID 136905895) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
PubChem CID136905895
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H14FN3O2/c1-3-12-10(6-8(2)17-18-12)14(20)16-9-4-5-13(19)11(15)7-9/h4-7,19H,3H2,1-2H3,(H,16,20)
InChIKeyGAPBYVBELANJOB-UHFFFAOYSA-N
XLogP2.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64780695
N-(3-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 64781448
N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 64781836
N-(3-fluoro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 64782621
N-(2-fluoro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64786290
N-(2-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 64787855
N-(2-fluoro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 64793499
N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 86787157
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 102810762
3-ethyl-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 104100703
2-[(3,6-Dimethylpyridazine-4-carbonyl)amino]-4-fluorobenzoic acid
CID 104669392
2-[(3,6-Dimethylpyridazine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 104669408

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide (CID 136905895) is 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide?
The InChIKey is GAPBYVBELANJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-3-12-10(6-8(2)17-18-12)14(20)16-9-4-5-13(19)11(15)7-9/h4-7,19H,3H2,1-2H3,(H,16,20).
What are the key properties of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide?
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 136905895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).