3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid

C16H14N4O3 — CID 2392497

IUPAC3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H14N4O3/c21-15(13-14(16(22)23)18-8-7-17-13)19-6-5-10-9-20-12-4-2-1-3-11(10)12/h1-4,7-9,20H,5-6H2,(H,19,21)(H,22,23)
InChIKeySSMAJXIUUJHXMF-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.63
Rot. Bonds5

About 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid

3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 2392497) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID2392497
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H14N4O3/c21-15(13-14(16(22)23)18-8-7-17-13)19-6-5-10-9-20-12-4-2-1-3-11(10)12/h1-4,7-9,20H,5-6H2,(H,19,21)(H,22,23)
InChIKeySSMAJXIUUJHXMF-UHFFFAOYSA-N
XLogP1.63
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-pyrido(3,4-b)indole-1-carboxylic acid
CID 15573079
3-[([1,1'-Biphenyl]-2-ylamino)carbonyl]-2-pyrazinecarboxylic acid
CID 2811759
1-Methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 165415002
SC-50998
CID 19023535
N-(9H-beta-carbolin-3-ylcarbonyl)-L-alanine
CID 8015998
N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 2537513
N-[2-(dimethylamino)ethyl]-9H-pyrido[3,4-b]indole-1-carboxamide
CID 183403
2-{[1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-2-yl]carbonyl}nicotinic acid
CID 2740512
2-amino-3-(1H-indole-3-carbonylamino)propanoic acid
CID 44233657
N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 52944727
3-[(1H-indol-7-ylmethyl)amino]pyridine-4-carboxylic acid
CID 77105706
US10174026, Example 116
CID 117631163

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 2392497) is 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is SSMAJXIUUJHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-15(13-14(16(22)23)18-8-7-17-13)19-6-5-10-9-20-12-4-2-1-3-11(10)12/h1-4,7-9,20H,5-6H2,(H,19,21)(H,22,23).
What are the key properties of 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 2392497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).