2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid

C17H14N4O4 — CID 167953139

IUPAC2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid
SMILESNc1nccnc1C(=O)Nc1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C17H14N4O4/c18-16-15(19-7-8-20-16)17(24)21-12-5-6-13(25-9-14(22)23)11-4-2-1-3-10(11)12/h1-8H,9H2,(H2,18,20)(H,21,24)(H,22,23)
InChIKeyLBMIIMXSKMSYLD-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.93
Rot. Bonds5

About 2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid

2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid (PubChem CID 167953139) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid
PubChem CID167953139
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid
SMILESNc1nccnc1C(=O)Nc1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C17H14N4O4/c18-16-15(19-7-8-20-16)17(24)21-12-5-6-13(25-9-14(22)23)11-4-2-1-3-10(11)12/h1-8H,9H2,(H2,18,20)(H,21,24)(H,22,23)
InChIKeyLBMIIMXSKMSYLD-UHFFFAOYSA-N
XLogP1.93
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid (CID 167953139) is 2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid is Nc1nccnc1C(=O)Nc1ccc(OCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid?
The InChIKey is LBMIIMXSKMSYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c18-16-15(19-7-8-20-16)17(24)21-12-5-6-13(25-9-14(22)23)11-4-2-1-3-10(11)12/h1-8H,9H2,(H2,18,20)(H,21,24)(H,22,23).
What are the key properties of 2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid?
2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid has a molecular weight of 338.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 167953139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).