N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide

C13H22N4O3 — CID 103219444

IUPACN-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
SMILESCOCCCNC(=O)Cn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C13H22N4O3/c1-10(2)16-11-7-13(19)17(15-8-11)9-12(18)14-5-4-6-20-3/h7-8,10,16H,4-6,9H2,1-3H3,(H,14,18)
InChIKeyLFSNRBBKJCRKEM-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.22
Rot. Bonds8

About N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide (PubChem CID 103219444) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
PubChem CID103219444
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
SMILESCOCCCNC(=O)Cn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C13H22N4O3/c1-10(2)16-11-7-13(19)17(15-8-11)9-12(18)14-5-4-6-20-3/h7-8,10,16H,4-6,9H2,1-3H3,(H,14,18)
InChIKeyLFSNRBBKJCRKEM-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide (CID 103219444) is N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide is COCCCNC(=O)Cn1ncc(NC(C)C)cc1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The InChIKey is LFSNRBBKJCRKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10(2)16-11-7-13(19)17(15-8-11)9-12(18)14-5-4-6-20-3/h7-8,10,16H,4-6,9H2,1-3H3,(H,14,18).
What are the key properties of N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide is sourced from PubChem (CID 103219444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).