5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid

C16H17N3O5 — CID 120685047

IUPAC5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCOCCOc1cc(C)ccc1NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C16H17N3O5/c1-10-3-4-11(14(7-10)24-6-5-23-2)19-15(20)12-8-18-13(9-17-12)16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyUJRPUYLNLUIFIG-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.76
Rot. Bonds7

About 5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid

5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685047) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685047
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCOCCOc1cc(C)ccc1NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C16H17N3O5/c1-10-3-4-11(14(7-10)24-6-5-23-2)19-15(20)12-8-18-13(9-17-12)16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyUJRPUYLNLUIFIG-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173
2-(aminomethyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 119726889
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
CID 55891092
1-[4-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 75383498
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723
N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 47311026
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
2-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975087
5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685180

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 120685047) is 5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid is COCCOc1cc(C)ccc1NC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is UJRPUYLNLUIFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-10-3-4-11(14(7-10)24-6-5-23-2)19-15(20)12-8-18-13(9-17-12)16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).