2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid

C13H11N3O3 — CID 65346215

IUPAC2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cnccn2)c1
InChIInChI=1S/C13H11N3O3/c17-12(18)7-9-2-1-3-10(6-9)16-13(19)11-8-14-4-5-15-11/h1-6,8H,7H2,(H,16,19)(H,17,18)
InChIKeyBWGPVCNCZOENJD-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.36
Rot. Bonds4

About 2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid

2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid (PubChem CID 65346215) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
PubChem CID65346215
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cnccn2)c1
InChIInChI=1S/C13H11N3O3/c17-12(18)7-9-2-1-3-10(6-9)16-13(19)11-8-14-4-5-15-11/h1-6,8H,7H2,(H,16,19)(H,17,18)
InChIKeyBWGPVCNCZOENJD-UHFFFAOYSA-N
XLogP1.36
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 65345876
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
N-(2-benzylphenyl)pyrazine-2-carboxamide
CID 1247505
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
2-[3-(pyrimidin-5-ylcarbamoylamino)phenyl]acetic acid
CID 107589141
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide
CID 108924075
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid (CID 65346215) is 2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2cnccn2)c1.
What is the InChIKey of 2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid?
The InChIKey is BWGPVCNCZOENJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-12(18)7-9-2-1-3-10(6-9)16-13(19)11-8-14-4-5-15-11/h1-6,8H,7H2,(H,16,19)(H,17,18).
What are the key properties of 2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid?
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid has a molecular weight of 257.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 65346215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).