N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C11H17N3O4 — CID 113264465

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOCC(CCO)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H17N3O4/c1-14-10(16)4-3-9(13-14)11(17)12-8(5-6-15)7-18-2/h3-4,8,15H,5-7H2,1-2H3,(H,12,17)
InChIKeyZGPHGZKEXZLVFB-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.09
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 113264465) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID113264465
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOCC(CCO)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H17N3O4/c1-14-10(16)4-3-9(13-14)11(17)12-8(5-6-15)7-18-2/h3-4,8,15H,5-7H2,1-2H3,(H,12,17)
InChIKeyZGPHGZKEXZLVFB-UHFFFAOYSA-N
XLogP-1.09
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103799623
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119052898
N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 103799438
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 61247357
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
CID 104629797
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 113264465) is N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is COCC(CCO)NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZGPHGZKEXZLVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-14-10(16)4-3-9(13-14)11(17)12-8(5-6-15)7-18-2/h3-4,8,15H,5-7H2,1-2H3,(H,12,17).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 113264465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).