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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Related Compounds

2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid
CID 119219278
3-amino-N-(2-phenylmethoxy-3-pyridinyl)pyrazine-2-carboxamide
CID 136525909
2-[4-(5-amino-2H-triazol-4-yl)naphthalen-1-yl]oxyacetic acid
CID 70797067
2-[4-[(2-butan-2-yloxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 120522294
2-[4-(3-propan-2-yloxypropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219213
2-[4-[(2-butoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219236
2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid
CID 119219199
2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid
CID 119219249
2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219204
2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid
CID 119219265
2-[4-(2-butylsulfanylpropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219227
benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
CID 16579660

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).