1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide

C11H19N3O2 — CID 30384665

IUPAC1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCCCCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C11H19N3O2/c1-3-4-5-8-12-11(16)9-6-7-10(15)14(2)13-9/h3-8H2,1-2H3,(H,12,16)
InChIKeyOCNMCBVILNIJQD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.90
Rot. Bonds5

About 1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 30384665) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID30384665
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCCCCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C11H19N3O2/c1-3-4-5-8-12-11(16)9-6-7-10(15)14(2)13-9/h3-8H2,1-2H3,(H,12,16)
InChIKeyOCNMCBVILNIJQD-UHFFFAOYSA-N
XLogP0.90
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.90
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-propyl-4,5-dihydropyridazine-3-carboxamide
CID 47014189
3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 43170671
N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18083745
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 114618304
N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46516631
N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 113246026
N-(3-benzylsulfonylpropyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55841818
1-methyl-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51948671
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 115701209
1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51074223
4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid
CID 107473792

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide (CID 30384665) is 1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide is CCCCCNC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is OCNMCBVILNIJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-5-8-12-11(16)9-6-7-10(15)14(2)13-9/h3-8H2,1-2H3,(H,12,16).
What are the key properties of 1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 30384665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).