2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid

C15H16FN3O3 — CID 45103727

IUPAC2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NCCc2ccc(F)cc2)c(=O)n1CC(=O)O
InChIInChI=1S/C15H16FN3O3/c1-10-8-18-14(15(22)19(10)9-13(20)21)17-7-6-11-2-4-12(16)5-3-11/h2-5,8H,6-7,9H2,1H3,(H,17,18)(H,20,21)
InChIKeyKZGQNOYMSODAJB-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.43
Rot. Bonds6

About 2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid

2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid (PubChem CID 45103727) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
PubChem CID45103727
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NCCc2ccc(F)cc2)c(=O)n1CC(=O)O
InChIInChI=1S/C15H16FN3O3/c1-10-8-18-14(15(22)19(10)9-13(20)21)17-7-6-11-2-4-12(16)5-3-11/h2-5,8H,6-7,9H2,1H3,(H,17,18)(H,20,21)
InChIKeyKZGQNOYMSODAJB-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid (CID 45103727) is 2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid is Cc1cnc(NCCc2ccc(F)cc2)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is KZGQNOYMSODAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-10-8-18-14(15(22)19(10)9-13(20)21)17-7-6-11-2-4-12(16)5-3-11/h2-5,8H,6-7,9H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 305.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 45103727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).