N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide

C13H19N3O2 — CID 104927899

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)c(C)nn1
InChIInChI=1S/C13H19N3O2/c1-8-7-10(9(2)16-15-8)13(18)14-11-5-3-4-6-12(11)17/h7,11-12,17H,3-6H2,1-2H3,(H,14,18)/t11-,12-/m1/s1
InChIKeyFGHZWEPAOZUFAS-VXGBXAGGSA-N
MW249.31 g/mol
LogP1.13
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104927899) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104927899
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)c(C)nn1
InChIInChI=1S/C13H19N3O2/c1-8-7-10(9(2)16-15-8)13(18)14-11-5-3-4-6-12(11)17/h7,11-12,17H,3-6H2,1-2H3,(H,14,18)/t11-,12-/m1/s1
InChIKeyFGHZWEPAOZUFAS-VXGBXAGGSA-N
XLogP1.13
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 113439189
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86800262
5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102705498
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 104957396
cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone
CID 105124937
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106366828
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
CID 104957100
N-[(1R,2R)-2-hydroxycyclohexyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 97003571
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide (CID 104927899) is N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)c(C)nn1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is FGHZWEPAOZUFAS-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-7-10(9(2)16-15-8)13(18)14-11-5-3-4-6-12(11)17/h7,11-12,17H,3-6H2,1-2H3,(H,14,18)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104927899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).