N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C18H23N3O2 — CID 5068263

IUPACN-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCC(C)C)n2)cc1
InChIInChI=1S/C18H23N3O2/c1-13(2)10-11-19-17(22)12-21-18(23)9-8-16(20-21)15-6-4-14(3)5-7-15/h4-9,13H,10-12H2,1-3H3,(H,19,22)
InChIKeyBJKFZYNXSAFEJW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.38
Rot. Bonds6

About N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 5068263) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID5068263
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCC(C)C)n2)cc1
InChIInChI=1S/C18H23N3O2/c1-13(2)10-11-19-17(22)12-21-18(23)9-8-16(20-21)15-6-4-14(3)5-7-15/h4-9,13H,10-12H2,1-3H3,(H,19,22)
InChIKeyBJKFZYNXSAFEJW-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.38
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-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 5068263) is N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCCC(C)C)n2)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is BJKFZYNXSAFEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)10-11-19-17(22)12-21-18(23)9-8-16(20-21)15-6-4-14(3)5-7-15/h4-9,13H,10-12H2,1-3H3,(H,19,22).
What are the key properties of N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.38, 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-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 5068263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).