3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide

C15H17N3O2 — CID 104625691

IUPAC3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C15H17N3O2/c1-4-13-12(7-10(3)17-18-13)15(20)16-11-6-5-9(2)14(19)8-11/h5-8,19H,4H2,1-3H3,(H,16,20)
InChIKeyVBNORSBJJONCLJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.61
Rot. Bonds3

About 3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide

3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide (PubChem CID 104625691) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide
PubChem CID104625691
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C15H17N3O2/c1-4-13-12(7-10(3)17-18-13)15(20)16-11-6-5-9(2)14(19)8-11/h5-8,19H,4H2,1-3H3,(H,16,20)
InChIKeyVBNORSBJJONCLJ-UHFFFAOYSA-N
XLogP2.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,6-Dimethylpyridazine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 104669630
4-[(3,6-Dimethylpyridazine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 107793044
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-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477768
N-(3-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 55119974
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 61052789
N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61166719
N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61258871
N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64792545

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide (CID 104625691) is 3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccc(C)c(O)c1.
What is the InChIKey of 3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide?
The InChIKey is VBNORSBJJONCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-13-12(7-10(3)17-18-13)15(20)16-11-6-5-9(2)14(19)8-11/h5-8,19H,4H2,1-3H3,(H,16,20).
What are the key properties of 3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide?
3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.61, 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-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104625691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).