N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide

C13H22N4O3 — CID 103221622

IUPACN-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1ncc(NCC(C)C)cc1=O
InChIInChI=1S/C13H22N4O3/c1-10(2)7-15-11-6-13(19)17(16-8-11)9-12(18)14-4-5-20-3/h6,8,10,15H,4-5,7,9H2,1-3H3,(H,14,18)
InChIKeyBWYGHBIAHCBBSU-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.07
Rot. Bonds8

About N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide (PubChem CID 103221622) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
PubChem CID103221622
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1ncc(NCC(C)C)cc1=O
InChIInChI=1S/C13H22N4O3/c1-10(2)7-15-11-6-13(19)17(16-8-11)9-12(18)14-4-5-20-3/h6,8,10,15H,4-5,7,9H2,1-3H3,(H,14,18)
InChIKeyBWYGHBIAHCBBSU-UHFFFAOYSA-N
XLogP0.07
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-morpholinyl)acetamide
CID 70715217
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221646
5-(2-Methylpropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221711
5-[2-Aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223513
5-[2-(Methylamino)ethylamino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223724
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103366656
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393556
5-[2-Methoxyethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397569
Ethyl 2-(6-oxo-4-(piperazin-1-yl)pyridazin-1(6H)-yl)acetate
CID 42544148
2-[4-(4-morpholinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56888314

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide (CID 103221622) is N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide is COCCNC(=O)Cn1ncc(NCC(C)C)cc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is BWYGHBIAHCBBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10(2)7-15-11-6-13(19)17(16-8-11)9-12(18)14-4-5-20-3/h6,8,10,15H,4-5,7,9H2,1-3H3,(H,14,18).
What are the key properties of N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 103221622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).