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

C15H24N4O3 — CID 52902750

IUPACN-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc(N2CCOCC2)ccc1=O
InChIInChI=1S/C15H24N4O3/c1-12(2)5-6-16-14(20)11-19-15(21)4-3-13(17-19)18-7-9-22-10-8-18/h3-4,12H,5-11H2,1-2H3,(H,16,20)
InChIKeyBBNJRRKMSZNGLW-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.24
Rot. Bonds6

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

N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide (PubChem CID 52902750) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
PubChem CID52902750
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc(N2CCOCC2)ccc1=O
InChIInChI=1S/C15H24N4O3/c1-12(2)5-6-16-14(20)11-19-15(21)4-3-13(17-19)18-7-9-22-10-8-18/h3-4,12H,5-11H2,1-2H3,(H,16,20)
InChIKeyBBNJRRKMSZNGLW-UHFFFAOYSA-N
XLogP0.24
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide (CID 52902750) is N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide is CC(C)CCNC(=O)Cn1nc(N2CCOCC2)ccc1=O.
What is the InChIKey of N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is BBNJRRKMSZNGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-12(2)5-6-16-14(20)11-19-15(21)4-3-13(17-19)18-7-9-22-10-8-18/h3-4,12H,5-11H2,1-2H3,(H,16,20).
What are the key properties of N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide?
N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 52902750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).