N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C17H21N3O2 — CID 940465

IUPACN-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C17H21N3O2/c21-16-12-11-15(17(22)18-13-7-3-1-4-8-13)19-20(16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,22)
InChIKeyGRQHCTOTGXGJOQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.62
Rot. Bonds3

About N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 940465) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID940465
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C17H21N3O2/c21-16-12-11-15(17(22)18-13-7-3-1-4-8-13)19-20(16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,22)
InChIKeyGRQHCTOTGXGJOQ-UHFFFAOYSA-N
XLogP2.62
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 940465) is N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(NC1CCCCC1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is GRQHCTOTGXGJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16-12-11-15(17(22)18-13-7-3-1-4-8-13)19-20(16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,22).
What are the key properties of N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 940465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).