1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide

C16H19N3O2 — CID 121066866

IUPAC1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NCCCc2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-2-19-15(20)11-10-14(18-19)16(21)17-12-6-9-13-7-4-3-5-8-13/h3-5,7-8,10-11H,2,6,9,12H2,1H3,(H,17,21)
InChIKeyFGWSGVANGOGXGP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.63
Rot. Bonds6

About 1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide

1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide (PubChem CID 121066866) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
PubChem CID121066866
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NCCCc2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-2-19-15(20)11-10-14(18-19)16(21)17-12-6-9-13-7-4-3-5-8-13/h3-5,7-8,10-11H,2,6,9,12H2,1H3,(H,17,21)
InChIKeyFGWSGVANGOGXGP-UHFFFAOYSA-N
XLogP1.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.63
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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Related Compounds

1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide
CID 38857490
1-methyl-5-oxo-N-(3-phenylpropyl)-4H-1,2,4-triazole-3-carboxamide
CID 136849803
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
1-benzyl-6-oxo-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 35864486
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 121066856
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide (CID 121066866) is 1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide is CCn1nc(C(=O)NCCCc2ccccc2)ccc1=O.
What is the InChIKey of 1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide?
The InChIKey is FGWSGVANGOGXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-19-15(20)11-10-14(18-19)16(21)17-12-6-9-13-7-4-3-5-8-13/h3-5,7-8,10-11H,2,6,9,12H2,1H3,(H,17,21).
What are the key properties of 1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide?
1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 121066866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).