N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

C14H23N3O3 — CID 103874312

IUPACN-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1c(C)c(C)nn(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-6-7-14(4,20)8-15-12(18)11-9(2)10(3)16-17(5)13(11)19/h20H,6-8H2,1-5H3,(H,15,18)
InChIKeyUJYZHRGVRUWTJD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.68
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (PubChem CID 103874312) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
PubChem CID103874312
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1c(C)c(C)nn(C)c1=O
InChIInChI=1S/C14H23N3O3/c1-6-7-14(4,20)8-15-12(18)11-9(2)10(3)16-17(5)13(11)19/h20H,6-8H2,1-5H3,(H,15,18)
InChIKeyUJYZHRGVRUWTJD-UHFFFAOYSA-N
XLogP0.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 66169014
4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid
CID 62044160
2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
CID 103874335
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 114751386
2-[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526397
N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 113246026
ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 52563002
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
N-(2-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119629510
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114148855

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (CID 103874312) is N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is CCCC(C)(O)CNC(=O)c1c(C)c(C)nn(C)c1=O.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The InChIKey is UJYZHRGVRUWTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-7-14(4,20)8-15-12(18)11-9(2)10(3)16-17(5)13(11)19/h20H,6-8H2,1-5H3,(H,15,18).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 103874312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).