N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

C14H21N3O3 — CID 115699825

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESC=C(C)COCCNC(=O)c1ccc(=O)n(CCC)n1
InChIInChI=1S/C14H21N3O3/c1-4-8-17-13(18)6-5-12(16-17)14(19)15-7-9-20-10-11(2)3/h5-6H,2,4,7-10H2,1,3H3,(H,15,19)
InChIKeyMQBNKYJCWQJGDG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.98
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 115699825) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID115699825
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESC=C(C)COCCNC(=O)c1ccc(=O)n(CCC)n1
InChIInChI=1S/C14H21N3O3/c1-4-8-17-13(18)6-5-12(16-17)14(19)15-7-9-20-10-11(2)3/h5-6H,2,4,7-10H2,1,3H3,(H,15,19)
InChIKeyMQBNKYJCWQJGDG-UHFFFAOYSA-N
XLogP0.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 47584978
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
CID 63913396
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 94025908
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 115699825) is N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is C=C(C)COCCNC(=O)c1ccc(=O)n(CCC)n1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is MQBNKYJCWQJGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-8-17-13(18)6-5-12(16-17)14(19)15-7-9-20-10-11(2)3/h5-6H,2,4,7-10H2,1,3H3,(H,15,19).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 115699825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).