N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide

C14H22N4O4 — CID 52900298

IUPACN-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
SMILESCOCCCNC(=O)Cn1nc(N2CCOCC2)ccc1=O
InChIInChI=1S/C14H22N4O4/c1-21-8-2-5-15-13(19)11-18-14(20)4-3-12(16-18)17-6-9-22-10-7-17/h3-4H,2,5-11H2,1H3,(H,15,19)
InChIKeyDPIMKNGEPSEYCS-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.77
Rot. Bonds7

About N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide

N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide (PubChem CID 52900298) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
PubChem CID52900298
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC NameN-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
SMILESCOCCCNC(=O)Cn1nc(N2CCOCC2)ccc1=O
InChIInChI=1S/C14H22N4O4/c1-21-8-2-5-15-13(19)11-18-14(20)4-3-12(16-18)17-6-9-22-10-7-17/h3-4H,2,5-11H2,1H3,(H,15,19)
InChIKeyDPIMKNGEPSEYCS-UHFFFAOYSA-N
XLogP-0.77
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide (CID 52900298) is N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide is COCCCNC(=O)Cn1nc(N2CCOCC2)ccc1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is DPIMKNGEPSEYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-21-8-2-5-15-13(19)11-18-14(20)4-3-12(16-18)17-6-9-22-10-7-17/h3-4H,2,5-11H2,1H3,(H,15,19).
What are the key properties of N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of -0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 52900298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).