2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide

C19H31FN4O2 — CID 170026564

IUPAC2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide
SMILESCCCNC(=O)C(CC(C)C)n1nc(CCN2CC(F)C2)c(C)cc1=O
InChIInChI=1S/C19H31FN4O2/c1-5-7-21-19(26)17(9-13(2)3)24-18(25)10-14(4)16(22-24)6-8-23-11-15(20)12-23/h10,13,15,17H,5-9,11-12H2,1-4H3,(H,21,26)
InChIKeyPLWUQBDLMBCJPB-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.86
Rot. Bonds9

About 2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide

2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide (PubChem CID 170026564) has the molecular formula C19H31FN4O2 and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide.

Molecular Properties

Compound Name2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide
PubChem CID170026564
Molecular FormulaC19H31FN4O2
Molecular Weight366.48 g/mol
Exact Mass366.24
IUPAC Name2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide
SMILESCCCNC(=O)C(CC(C)C)n1nc(CCN2CC(F)C2)c(C)cc1=O
InChIInChI=1S/C19H31FN4O2/c1-5-7-21-19(26)17(9-13(2)3)24-18(25)10-14(4)16(22-24)6-8-23-11-15(20)12-23/h10,13,15,17H,5-9,11-12H2,1-4H3,(H,21,26)
InChIKeyPLWUQBDLMBCJPB-UHFFFAOYSA-N
XLogP1.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide?
The IUPAC name of 2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide (CID 170026564) is 2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide.
What is the SMILES notation for 2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide?
The canonical SMILES for 2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide is CCCNC(=O)C(CC(C)C)n1nc(CCN2CC(F)C2)c(C)cc1=O.
What is the InChIKey of 2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide?
The InChIKey is PLWUQBDLMBCJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O2/c1-5-7-21-19(26)17(9-13(2)3)24-18(25)10-14(4)16(22-24)6-8-23-11-15(20)12-23/h10,13,15,17H,5-9,11-12H2,1-4H3,(H,21,26).
What are the key properties of 2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide?
2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide has a molecular weight of 366.48 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methyl-N-propylpentanamide is sourced from PubChem (CID 170026564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).