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

C14H15N3O2 — CID 104625458

IUPAC3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H15N3O2/c1-3-13-12(7-9(2)16-17-13)14(19)15-10-5-4-6-11(18)8-10/h4-8,18H,3H2,1-2H3,(H,15,19)
InChIKeyVYTHYMVYUQCRFR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.31
Rot. Bonds3

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

3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide (PubChem CID 104625458) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
PubChem CID104625458
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H15N3O2/c1-3-13-12(7-9(2)16-17-13)14(19)15-10-5-4-6-11(18)8-10/h4-8,18H,3H2,1-2H3,(H,15,19)
InChIKeyVYTHYMVYUQCRFR-UHFFFAOYSA-N
XLogP2.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78816645
3-ethyl-N-(2-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
CID 136869131
N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136905894
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
CID 136905895
N-(2-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136905896
N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 102037652
N-(5-hydroxy-2-methylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 57505436
N-(3-hydroxyphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 1941775
1-ethyl-N-(3-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 19280945
N-(3-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19471984
1-ethyl-N-(3-hydroxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 19472287
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide (CID 104625458) is 3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1cccc(O)c1.
What is the InChIKey of 3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide?
The InChIKey is VYTHYMVYUQCRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-13-12(7-9(2)16-17-13)14(19)15-10-5-4-6-11(18)8-10/h4-8,18H,3H2,1-2H3,(H,15,19).
What are the key properties of 3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide?
3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.31, 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-hydroxyphenyl)-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104625458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).