N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide

C16H19N3O2 — CID 104670809

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nnc1C)c1cc(O)ccc1C
InChIInChI=1S/C16H19N3O2/c1-5-19(15-9-13(20)7-6-10(15)2)16(21)14-8-11(3)17-18-12(14)4/h6-9,20H,5H2,1-4H3
InChIKeyRWASWJGZCBZSQN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.77
Rot. Bonds3

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104670809) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104670809
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nnc1C)c1cc(O)ccc1C
InChIInChI=1S/C16H19N3O2/c1-5-19(15-9-13(20)7-6-10(15)2)16(21)14-8-11(3)17-18-12(14)4/h6-9,20H,5H2,1-4H3
InChIKeyRWASWJGZCBZSQN-UHFFFAOYSA-N
XLogP2.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807955
4-[2-(cyclopropylamino)-4-hydroxyphenyl]-1-[6-[(E)-1-fluorobut-2-enyl]pyridazin-4-yl]butan-1-one
CID 142397779
[4-(3-hydroxy-methylphenyl)piperazin-1-yl](5-methyl-2-phenyl-2H-pyrazol-3-yl)methanone
CID 69773418
[1-(3-Hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 71040668
[4-(Dimethylamino)piperidin-1-yl]-[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 71040670
[1-(3-Hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 143749379
[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone
CID 143749380
[1-(3-Hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 143749415
[5-Cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 143749433
N-ethyl-N-(5-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 28739974
N-ethyl-N-(5-hydroxy-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 28740063
N-ethyl-N-(5-hydroxy-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 28740216

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 104670809) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide is CCN(C(=O)c1cc(C)nnc1C)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is RWASWJGZCBZSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-5-19(15-9-13(20)7-6-10(15)2)16(21)14-8-11(3)17-18-12(14)4/h6-9,20H,5H2,1-4H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104670809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).