1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H25N3O3 — CID 51948671

IUPAC1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1OCCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H25N3O3/c1-11-5-3-4-6-13(11)21-10-9-16-15(20)12-7-8-14(19)18(2)17-12/h11,13H,3-10H2,1-2H3,(H,16,20)/t11-,13+/m1/s1
InChIKeyIPJKORLKQQQCNW-YPMHNXCESA-N
MW295.38 g/mol
LogP1.31
Rot. Bonds5

About 1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 51948671) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID51948671
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1OCCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H25N3O3/c1-11-5-3-4-6-13(11)21-10-9-16-15(20)12-7-8-14(19)18(2)17-12/h11,13H,3-10H2,1-2H3,(H,16,20)/t11-,13+/m1/s1
InChIKeyIPJKORLKQQQCNW-YPMHNXCESA-N
XLogP1.31
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 51948671) is 1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is C[C@@H]1CCCC[C@@H]1OCCNC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IPJKORLKQQQCNW-YPMHNXCESA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-5-3-4-6-13(11)21-10-9-16-15(20)12-7-8-14(19)18(2)17-12/h11,13H,3-10H2,1-2H3,(H,16,20)/t11-,13+/m1/s1.
What are the key properties of 1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 51948671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).