5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

C16H17N3O3 — CID 120684793

IUPAC5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCCc1ccc(C(C)NC(=O)c2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H17N3O3/c1-3-11-4-6-12(7-5-11)10(2)19-15(20)13-8-18-14(9-17-13)16(21)22/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySTLDYHGQKQKYOH-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.23
Rot. Bonds5

About 5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120684793) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120684793
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCCc1ccc(C(C)NC(=O)c2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H17N3O3/c1-3-11-4-6-12(7-5-11)10(2)19-15(20)13-8-18-14(9-17-13)16(21)22/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeySTLDYHGQKQKYOH-UHFFFAOYSA-N
XLogP2.23
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
5-(diethylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280789
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 112520266
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 107863938
3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853849
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492
N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 42997249

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 120684793) is 5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is CCc1ccc(C(C)NC(=O)c2cnc(C(=O)O)cn2)cc1.
What is the InChIKey of 5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is STLDYHGQKQKYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-3-11-4-6-12(7-5-11)10(2)19-15(20)13-8-18-14(9-17-13)16(21)22/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120684793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).