N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C17H21N3O2 — CID 3295265

IUPACN-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C17H21N3O2/c1-13(2)10-11-18-16(21)12-20-17(22)9-8-15(19-20)14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H,18,21)
InChIKeyRRGTZYQBALMFKG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.07
Rot. Bonds6

About N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 3295265) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID3295265
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C17H21N3O2/c1-13(2)10-11-18-16(21)12-20-17(22)9-8-15(19-20)14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H,18,21)
InChIKeyRRGTZYQBALMFKG-UHFFFAOYSA-N
XLogP2.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 3295265) is N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CC(C)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is RRGTZYQBALMFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(2)10-11-18-16(21)12-20-17(22)9-8-15(19-20)14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 3295265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).