N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide

C23H20FN5O2 — CID 67231226

IUPACN-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide
SMILESNC(=O)CN(CCC1=CN=C2CC=C(F)C=C12)C(=O)c1nccnc1-c1ccccc1
InChIInChI=1S/C23H20FN5O2/c24-17-6-7-19-18(12-17)16(13-28-19)8-11-29(14-20(25)30)23(31)22-21(26-9-10-27-22)15-4-2-1-3-5-15/h1-6,9-10,12-13H,7-8,11,14H2,(H2,25,30)
InChIKeyOOVPYAOSJICCMI-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.98
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide

N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide (PubChem CID 67231226) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide
PubChem CID67231226
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide
SMILESNC(=O)CN(CCC1=CN=C2CC=C(F)C=C12)C(=O)c1nccnc1-c1ccccc1
InChIInChI=1S/C23H20FN5O2/c24-17-6-7-19-18(12-17)16(13-28-19)8-11-29(14-20(25)30)23(31)22-21(26-9-10-27-22)15-4-2-1-3-5-15/h1-6,9-10,12-13H,7-8,11,14H2,(H2,25,30)
InChIKeyOOVPYAOSJICCMI-UHFFFAOYSA-N
XLogP2.98
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide (CID 67231226) is N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide is NC(=O)CN(CCC1=CN=C2CC=C(F)C=C12)C(=O)c1nccnc1-c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide?
The InChIKey is OOVPYAOSJICCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-17-6-7-19-18(12-17)16(13-28-19)8-11-29(14-20(25)30)23(31)22-21(26-9-10-27-22)15-4-2-1-3-5-15/h1-6,9-10,12-13H,7-8,11,14H2,(H2,25,30).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 67231226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).