N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide

C18H19FN4O3 — CID 71784584

IUPACN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(Cc1cccc(F)c1)N1CCCC1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H19FN4O3/c19-13-4-1-3-12(9-13)10-14(23-8-2-5-17(23)25)11-20-18(26)15-6-7-16(24)22-21-15/h1,3-4,6-7,9,14H,2,5,8,10-11H2,(H,20,26)(H,22,24)
InChIKeyISEBWHAAOFTMLF-UHFFFAOYSA-N
MW358.37 g/mol
LogP0.87
Rot. Bonds6

About N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 71784584) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID71784584
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(Cc1cccc(F)c1)N1CCCC1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C18H19FN4O3/c19-13-4-1-3-12(9-13)10-14(23-8-2-5-17(23)25)11-20-18(26)15-6-7-16(24)22-21-15/h1,3-4,6-7,9,14H,2,5,8,10-11H2,(H,20,26)(H,22,24)
InChIKeyISEBWHAAOFTMLF-UHFFFAOYSA-N
XLogP0.87
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 71784584) is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCC(Cc1cccc(F)c1)N1CCCC1=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ISEBWHAAOFTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-13-4-1-3-12(9-13)10-14(23-8-2-5-17(23)25)11-20-18(26)15-6-7-16(24)22-21-15/h1,3-4,6-7,9,14H,2,5,8,10-11H2,(H,20,26)(H,22,24).
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 71784584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).