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

C14H21N3O3 — CID 114630578

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NC2CC(O)C2(C)C)c1C
InChIInChI=1S/C14H21N3O3/c1-7-8(2)16-17(5)13(20)11(7)12(19)15-9-6-10(18)14(9,3)4/h9-10,18H,6H2,1-5H3,(H,15,19)
InChIKeyAFHJXKQQMRTSLF-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.29
Rot. Bonds2

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (PubChem CID 114630578) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
PubChem CID114630578
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NC2CC(O)C2(C)C)c1C
InChIInChI=1S/C14H21N3O3/c1-7-8(2)16-17(5)13(20)11(7)12(19)15-9-6-10(18)14(9,3)4/h9-10,18H,6H2,1-5H3,(H,15,19)
InChIKeyAFHJXKQQMRTSLF-UHFFFAOYSA-N
XLogP0.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-2,5,6-trimethylpyridazin-3-one
CID 119032856
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 114630465
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 114751386
N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-oxopyran-3-carboxamide
CID 114631311
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-4-oxocyclohexane-1-carboxamide
CID 129345421
2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide
CID 75370547
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 104956547
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956514

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (CID 114630578) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)NC2CC(O)C2(C)C)c1C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The InChIKey is AFHJXKQQMRTSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-7-8(2)16-17(5)13(20)11(7)12(19)15-9-6-10(18)14(9,3)4/h9-10,18H,6H2,1-5H3,(H,15,19).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 114630578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).