2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid

C14H16F2N4O4 — CID 162577885

IUPAC2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NCC(F)(F)C2=CC=CCN2O)c(=O)n1CC(=O)O
InChIInChI=1S/C14H16F2N4O4/c1-9-6-17-12(13(23)19(9)7-11(21)22)18-8-14(15,16)10-4-2-3-5-20(10)24/h2-4,6,24H,5,7-8H2,1H3,(H,17,18)(H,21,22)
InChIKeyIEPFLWVEGDOYMG-UHFFFAOYSA-N
MW342.30 g/mol
LogP0.83
Rot. Bonds6

About 2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid

2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid (PubChem CID 162577885) has the molecular formula C14H16F2N4O4 and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
PubChem CID162577885
Molecular FormulaC14H16F2N4O4
Molecular Weight342.30 g/mol
Exact Mass342.11
IUPAC Name2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NCC(F)(F)C2=CC=CCN2O)c(=O)n1CC(=O)O
InChIInChI=1S/C14H16F2N4O4/c1-9-6-17-12(13(23)19(9)7-11(21)22)18-8-14(15,16)10-4-2-3-5-20(10)24/h2-4,6,24H,5,7-8H2,1H3,(H,17,18)(H,21,22)
InChIKeyIEPFLWVEGDOYMG-UHFFFAOYSA-N
XLogP0.83
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid (CID 162577885) is 2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid is Cc1cnc(NCC(F)(F)C2=CC=CCN2O)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is IEPFLWVEGDOYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O4/c1-9-6-17-12(13(23)19(9)7-11(21)22)18-8-14(15,16)10-4-2-3-5-20(10)24/h2-4,6,24H,5,7-8H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 342.30 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 162577885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).