4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid

C20H19N3O5 — CID 46926534

IUPAC4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid
SMILESCOc1cc(-c2cnc(N)c(-c3ccc(C(=O)O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H19N3O5/c1-26-15-8-13(9-16(27-2)18(15)28-3)14-10-22-19(21)17(23-14)11-4-6-12(7-5-11)20(24)25/h4-10H,1-3H3,(H2,21,22)(H,24,25)
InChIKeyJOVBKEMPKRSFDQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.12
Rot. Bonds6

About 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid

4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid (PubChem CID 46926534) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid
PubChem CID46926534
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid
SMILESCOc1cc(-c2cnc(N)c(-c3ccc(C(=O)O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H19N3O5/c1-26-15-8-13(9-16(27-2)18(15)28-3)14-10-22-19(21)17(23-14)11-4-6-12(7-5-11)20(24)25/h4-10H,1-3H3,(H2,21,22)(H,24,25)
InChIKeyJOVBKEMPKRSFDQ-UHFFFAOYSA-N
XLogP3.12
TPSA116.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
4-[2-Amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide
CID 44520782
(2R,3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2,3-dimethylpiperidine-4-carboxylic acid
CID 49837564
1-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin-2-Yl]piperidine-4-Carboxylic Acid
CID 46926535
[6-(3-Hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 156583241
4-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}benzaldehyde
CID 11710340
4-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin-2-Yl]-2-Methoxybenzoic Acid
CID 46926532
4-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin-2-Yl]-2-Methylbenzoic Acid
CID 46926533
(3r,4r)-1-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin-2-Yl]-3-Ethylpiperidine-4-Carboxylic Acid
CID 49837371
Ethyl 3-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}benzoate
CID 11603925
N-(6-Isobutyrylamino-pyridin-3-yl)-3,4,5-trimethoxy-benzamide
CID 654653
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3,4,5-trimethoxy-benzamide
CID 1452715

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid?
The IUPAC name of 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid (CID 46926534) is 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid.
What is the SMILES notation for 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid?
The canonical SMILES for 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid is COc1cc(-c2cnc(N)c(-c3ccc(C(=O)O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid?
The InChIKey is JOVBKEMPKRSFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-15-8-13(9-16(27-2)18(15)28-3)14-10-22-19(21)17(23-14)11-4-6-12(7-5-11)20(24)25/h4-10H,1-3H3,(H2,21,22)(H,24,25).
What are the key properties of 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid?
4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid has a molecular weight of 381.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 46926534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).