3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide

C14H23N3O2 — CID 104624859

IUPAC3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H23N3O2/c1-5-13-12(7-10(4)16-17-13)14(19)15-11(8-18)6-9(2)3/h7,9,11,18H,5-6,8H2,1-4H3,(H,15,19)
InChIKeyZSSKKHLLQAPVOR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.48
Rot. Bonds6

About 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide

3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide (PubChem CID 104624859) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide
PubChem CID104624859
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H23N3O2/c1-5-13-12(7-10(4)16-17-13)14(19)15-11(8-18)6-9(2)3/h7,9,11,18H,5-6,8H2,1-4H3,(H,15,19)
InChIKeyZSSKKHLLQAPVOR-UHFFFAOYSA-N
XLogP1.48
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670530
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-(1-aminohexan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671668
N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 115875451
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671999
3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
CID 104624588
1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one
CID 114201681
3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 104625743
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450
N-(4-bromopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106131553
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide (CID 104624859) is 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NC(CO)CC(C)C.
What is the InChIKey of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide?
The InChIKey is ZSSKKHLLQAPVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-13-12(7-10(4)16-17-13)14(19)15-11(8-18)6-9(2)3/h7,9,11,18H,5-6,8H2,1-4H3,(H,15,19).
What are the key properties of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide?
3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104624859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).