N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C14H23N3O4 — CID 103945933

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C14H23N3O4/c1-4-14(2,7-9-18)15-13(20)11-5-6-12(19)17(16-11)8-10-21-3/h5-6,18H,4,7-10H2,1-3H3,(H,15,20)
InChIKeyRIOMWPFKBNJMEO-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.17
Rot. Bonds8

About N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 103945933) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID103945933
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C14H23N3O4/c1-4-14(2,7-9-18)15-13(20)11-5-6-12(19)17(16-11)8-10-21-3/h5-6,18H,4,7-10H2,1-3H3,(H,15,20)
InChIKeyRIOMWPFKBNJMEO-UHFFFAOYSA-N
XLogP0.17
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65114524
N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 66172187
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62521741
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103799623
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818105
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 61247357

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 103945933) is N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is CCC(C)(CCO)NC(=O)c1ccc(=O)n(CCOC)n1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is RIOMWPFKBNJMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-4-14(2,7-9-18)15-13(20)11-5-6-12(19)17(16-11)8-10-21-3/h5-6,18H,4,7-10H2,1-3H3,(H,15,20).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 103945933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).