1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C13H21N3O2 — CID 46643836

IUPAC1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC1CCCCC1NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C13H21N3O2/c1-9-5-3-4-6-10(9)14-13(18)11-7-8-12(17)16(2)15-11/h9-10H,3-8H2,1-2H3,(H,14,18)
InChIKeyBILIWZNNFGAKRJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.29
Rot. Bonds2

About 1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 46643836) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID46643836
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC1CCCCC1NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C13H21N3O2/c1-9-5-3-4-6-10(9)14-13(18)11-7-8-12(17)16(2)15-11/h9-10H,3-8H2,1-2H3,(H,14,18)
InChIKeyBILIWZNNFGAKRJ-UHFFFAOYSA-N
XLogP1.29
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51948671
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
(2S)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 61131453
1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43169409
1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51074223
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47124778
1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 114618304
3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 43170671
1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450800
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 45179254
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 94174293
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 115701209

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 46643836) is 1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC1CCCCC1NC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is BILIWZNNFGAKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-5-3-4-6-10(9)14-13(18)11-7-8-12(17)16(2)15-11/h9-10H,3-8H2,1-2H3,(H,14,18).
What are the key properties of 1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylcyclohexyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 46643836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).