N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide

C18H26N4O3 — CID 51695246

IUPACN-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide
SMILESCN(C(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O)C1CCCCC1
InChIInChI=1S/C18H26N4O3/c1-20(14-7-3-2-4-8-14)17(24)13-22-16(23)10-9-15(19-22)18(25)21-11-5-6-12-21/h9-10,14H,2-8,11-13H2,1H3
InChIKeyDUECPGVJRMXZNN-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.27
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide

N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide (PubChem CID 51695246) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide
PubChem CID51695246
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide
SMILESCN(C(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O)C1CCCCC1
InChIInChI=1S/C18H26N4O3/c1-20(14-7-3-2-4-8-14)17(24)13-22-16(23)10-9-15(19-22)18(25)21-11-5-6-12-21/h9-10,14H,2-8,11-13H2,1H3
InChIKeyDUECPGVJRMXZNN-UHFFFAOYSA-N
XLogP1.27
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide (CID 51695246) is N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide is CN(C(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide?
The InChIKey is DUECPGVJRMXZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-20(14-7-3-2-4-8-14)17(24)13-22-16(23)10-9-15(19-22)18(25)21-11-5-6-12-21/h9-10,14H,2-8,11-13H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide?
N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 51695246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).