N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide

C11H17N3O3 — CID 42162059

IUPACN-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCOC)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-3-7-14-10(15)5-4-9(13-14)11(16)12-6-8-17-2/h4-5H,3,6-8H2,1-2H3,(H,12,16)
InChIKeySFBJMKLBOUFAGO-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.03
Rot. Bonds6

About N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 42162059) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID42162059
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCOC)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-3-7-14-10(15)5-4-9(13-14)11(16)12-6-8-17-2/h4-5H,3,6-8H2,1-2H3,(H,12,16)
InChIKeySFBJMKLBOUFAGO-UHFFFAOYSA-N
XLogP0.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 1932907
N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47079519
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-[2-(dimethylamino)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443194
N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
N-(3-methoxypropyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44012303
N-[1-(2-methoxyethyl)piperidin-4-yl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 48432066
N,N-diethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 45797767
3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one
CID 136537663
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
1-(2-methoxyethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 45893404
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103082670

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 42162059) is N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCCOC)ccc1=O.
What is the InChIKey of N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is SFBJMKLBOUFAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-7-14-10(15)5-4-9(13-14)11(16)12-6-8-17-2/h4-5H,3,6-8H2,1-2H3,(H,12,16).
What are the key properties of N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 42162059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).