5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

C16H17N3O5 — CID 120685272

IUPAC5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccc(OC)c(CCNC(=O)c2cnc(C(=O)O)cn2)c1
InChIInChI=1S/C16H17N3O5/c1-23-11-3-4-14(24-2)10(7-11)5-6-17-15(20)12-8-19-13(9-18-12)16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyWSQXSNGGKCQJGL-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.16
Rot. Bonds7

About 5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685272) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685272
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccc(OC)c(CCNC(=O)c2cnc(C(=O)O)cn2)c1
InChIInChI=1S/C16H17N3O5/c1-23-11-3-4-14(24-2)10(7-11)5-6-17-15(20)12-8-19-13(9-18-12)16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyWSQXSNGGKCQJGL-UHFFFAOYSA-N
XLogP1.16
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685641
N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
CID 110705099
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
CID 110692153
2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3812541
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954388
5-anilino-N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284601
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284387

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685272) is 5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is COc1ccc(OC)c(CCNC(=O)c2cnc(C(=O)O)cn2)c1.
What is the InChIKey of 5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is WSQXSNGGKCQJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-23-11-3-4-14(24-2)10(7-11)5-6-17-15(20)12-8-19-13(9-18-12)16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).