6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide

C17H21N3O2 — CID 95153673

IUPAC6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide
SMILESCCCCC[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-2-3-5-10-14(13-8-6-4-7-9-13)18-17(22)15-11-12-16(21)20-19-15/h4,6-9,11-12,14H,2-3,5,10H2,1H3,(H,18,22)(H,20,21)/t14-/m1/s1
InChIKeyCIDRMFHCRJHCDB-CQSZACIVSA-N
MW299.37 g/mol
LogP2.82
Rot. Bonds7

About 6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide (PubChem CID 95153673) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide
PubChem CID95153673
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide
SMILESCCCCC[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-2-3-5-10-14(13-8-6-4-7-9-13)18-17(22)15-11-12-16(21)20-19-15/h4,6-9,11-12,14H,2-3,5,10H2,1H3,(H,18,22)(H,20,21)/t14-/m1/s1
InChIKeyCIDRMFHCRJHCDB-CQSZACIVSA-N
XLogP2.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylhexylcarbamic acid
CID 21477897
N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95346590
1-phenyloctylcarbamic acid
CID 90271204
1-phenylnonylcarbamic acid
CID 67252081
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103942956
6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 43008369
2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide
CID 143076239
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38979661
1-phenylhexylthiourea
CID 122437154

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide (CID 95153673) is 6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide is CCCCC[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccccc1.
What is the InChIKey of 6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide?
The InChIKey is CIDRMFHCRJHCDB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-3-5-10-14(13-8-6-4-7-9-13)18-17(22)15-11-12-16(21)20-19-15/h4,6-9,11-12,14H,2-3,5,10H2,1H3,(H,18,22)(H,20,21)/t14-/m1/s1.
What are the key properties of 6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 95153673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).