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

C17H23N3O2 — CID 18083745

IUPACN-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCCCCCNC(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C17H23N3O2/c1-2-3-4-8-13-18-17(22)15-11-12-16(21)20(19-15)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,18,22)
InChIKeyIPXXNXQBKYCIMD-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.87
Rot. Bonds7

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

N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 18083745) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID18083745
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCCCCCNC(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C17H23N3O2/c1-2-3-4-8-13-18-17(22)15-11-12-16(21)20(19-15)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,18,22)
InChIKeyIPXXNXQBKYCIMD-UHFFFAOYSA-N
XLogP2.87
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
CID 30384665
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide
CID 24540574
N-[2-(2-nitroanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 31738081
2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid
CID 119204717
N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112766088
3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide
CID 125135751
N-(4-acetylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5124890
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 41102946
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
N-(4-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 945023
N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 71939366

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 18083745) is N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CCCCCCNC(=O)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IPXXNXQBKYCIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-3-4-8-13-18-17(22)15-11-12-16(21)20(19-15)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,18,22).
What are the key properties of N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 18083745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).