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

C17H28N4O2 — CID 52900532

IUPACN-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(C)CCNC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O
InChIInChI=1S/C17H28N4O2/c1-13(2)6-9-18-16(22)12-21-17(23)5-4-15(19-21)20-10-7-14(3)8-11-20/h4-5,13-14H,6-12H2,1-3H3,(H,18,22)
InChIKeyQVUWLEWBESQKIT-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.64
Rot. Bonds6

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

N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 52900532) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID52900532
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(C)CCNC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O
InChIInChI=1S/C17H28N4O2/c1-13(2)6-9-18-16(22)12-21-17(23)5-4-15(19-21)20-10-7-14(3)8-11-20/h4-5,13-14H,6-12H2,1-3H3,(H,18,22)
InChIKeyQVUWLEWBESQKIT-UHFFFAOYSA-N
XLogP1.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide (CID 52900532) is N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide is CC(C)CCNC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O.
What is the InChIKey of N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is QVUWLEWBESQKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)6-9-18-16(22)12-21-17(23)5-4-15(19-21)20-10-7-14(3)8-11-20/h4-5,13-14H,6-12H2,1-3H3,(H,18,22).
What are the key properties of N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide?
N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 320.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 52900532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).