3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

C14H12ClN3O3 — CID 53271007

IUPAC3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O3/c15-10-3-1-2-9(8-10)4-5-18-13(19)11-12(14(20)21)17-7-6-16-11/h1-3,6-8H,4-5H2,(H,18,19)(H,20,21)
InChIKeyRGXQLOLPWYXKBW-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.80
Rot. Bonds5

About 3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 53271007) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID53271007
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O3/c15-10-3-1-2-9(8-10)4-5-18-13(19)11-12(14(20)21)17-7-6-16-11/h1-3,6-8H,4-5H2,(H,18,19)(H,20,21)
InChIKeyRGXQLOLPWYXKBW-UHFFFAOYSA-N
XLogP1.80
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 39310617
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 129316266
2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109313129
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-chlorophenyl)ethylurea
CID 127513466
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate
CID 6974189
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061769
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 53271007) is 3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is RGXQLOLPWYXKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-10-3-1-2-9(8-10)4-5-18-13(19)11-12(14(20)21)17-7-6-16-11/h1-3,6-8H,4-5H2,(H,18,19)(H,20,21).
What are the key properties of 3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 305.72 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 53271007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).