6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

C15H13ClN4O — CID 103186743

IUPAC6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cncc(Cl)n1
InChIInChI=1S/C15H13ClN4O/c16-14-9-17-8-13(20-14)15(21)18-6-5-10-7-19-12-4-2-1-3-11(10)12/h1-4,7-9,19H,5-6H2,(H,18,21)
InChIKeyHGTBEIBPOFKHLD-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.58
Rot. Bonds4

About 6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 103186743) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID103186743
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cncc(Cl)n1
InChIInChI=1S/C15H13ClN4O/c16-14-9-17-8-13(20-14)15(21)18-6-5-10-7-19-12-4-2-1-3-11(10)12/h1-4,7-9,19H,5-6H2,(H,18,21)
InChIKeyHGTBEIBPOFKHLD-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109104994
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (CID 103186743) is 6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is HGTBEIBPOFKHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-14-9-17-8-13(20-14)15(21)18-6-5-10-7-19-12-4-2-1-3-11(10)12/h1-4,7-9,19H,5-6H2,(H,18,21).
What are the key properties of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103186743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).