2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid

C14H15N3O2 — CID 155912044

IUPAC2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid
SMILESCN(C)c1cncc(-c2cccc(CC(=O)O)c2)n1
InChIInChI=1S/C14H15N3O2/c1-17(2)13-9-15-8-12(16-13)11-5-3-4-10(6-11)7-14(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyXMQDWRIIWGYIGL-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.84
Rot. Bonds4

About 2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid

2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid (PubChem CID 155912044) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid
PubChem CID155912044
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid
SMILESCN(C)c1cncc(-c2cccc(CC(=O)O)c2)n1
InChIInChI=1S/C14H15N3O2/c1-17(2)13-9-15-8-12(16-13)11-5-3-4-10(6-11)7-14(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyXMQDWRIIWGYIGL-UHFFFAOYSA-N
XLogP1.84
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1H-imidazol-5-yl)phenyl]acetic acid
CID 105454152
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid
CID 155911361
3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 125439403
2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid
CID 130731432
2-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methyl-methylamino]acetic acid
CID 71628763
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid
CID 130250837
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid
CID 155915416
N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
CID 125445185

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid (CID 155912044) is 2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid is CN(C)c1cncc(-c2cccc(CC(=O)O)c2)n1.
What is the InChIKey of 2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid?
The InChIKey is XMQDWRIIWGYIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(2)13-9-15-8-12(16-13)11-5-3-4-10(6-11)7-14(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid?
2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid is sourced from PubChem (CID 155912044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).