N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide

C18H21FN4O2 — CID 53200801

IUPACN-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide
SMILESCCn1ncc(NC(=O)c2ccc(F)cc2)c(N2CCCCC2)c1=O
InChIInChI=1S/C18H21FN4O2/c1-2-23-18(25)16(22-10-4-3-5-11-22)15(12-20-23)21-17(24)13-6-8-14(19)9-7-13/h6-9,12H,2-5,10-11H2,1H3,(H,21,24)
InChIKeyIAKYILUTWFWAAS-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.64
Rot. Bonds4

About N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide

N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide (PubChem CID 53200801) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide
PubChem CID53200801
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide
SMILESCCn1ncc(NC(=O)c2ccc(F)cc2)c(N2CCCCC2)c1=O
InChIInChI=1S/C18H21FN4O2/c1-2-23-18(25)16(22-10-4-3-5-11-22)15(12-20-23)21-17(24)13-6-8-14(19)9-7-13/h6-9,12H,2-5,10-11H2,1H3,(H,21,24)
InChIKeyIAKYILUTWFWAAS-UHFFFAOYSA-N
XLogP2.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide (CID 53200801) is N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide is CCn1ncc(NC(=O)c2ccc(F)cc2)c(N2CCCCC2)c1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide?
The InChIKey is IAKYILUTWFWAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-2-23-18(25)16(22-10-4-3-5-11-22)15(12-20-23)21-17(24)13-6-8-14(19)9-7-13/h6-9,12H,2-5,10-11H2,1H3,(H,21,24).
What are the key properties of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide?
N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide has a molecular weight of 344.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 53200801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).