5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid

C16H13ClN4O3 — CID 166231909

IUPAC5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cn1
InChIInChI=1S/C16H13ClN4O3/c17-10-1-2-12-11(5-10)9(6-19-12)3-4-18-15(22)13-7-21-14(8-20-13)16(23)24/h1-2,5-8,19H,3-4H2,(H,18,22)(H,23,24)
InChIKeyJHIZTHXAMDGOBU-UHFFFAOYSA-N
MW344.76 g/mol
LogP2.28
Rot. Bonds5

About 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid

5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 166231909) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID166231909
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC Name5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cn1
InChIInChI=1S/C16H13ClN4O3/c17-10-1-2-12-11(5-10)9(6-19-12)3-4-18-15(22)13-7-21-14(8-20-13)16(23)24/h1-2,5-8,19H,3-4H2,(H,18,22)(H,23,24)
InChIKeyJHIZTHXAMDGOBU-UHFFFAOYSA-N
XLogP2.28
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 141441300
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39309401
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 66831763
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 166231909) is 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cn1.
What is the InChIKey of 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is JHIZTHXAMDGOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c17-10-1-2-12-11(5-10)9(6-19-12)3-4-18-15(22)13-7-21-14(8-20-13)16(23)24/h1-2,5-8,19H,3-4H2,(H,18,22)(H,23,24).
What are the key properties of 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 344.76 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166231909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).