N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide

C17H15N5O2S — CID 53335951

IUPACN-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCCc1cccnc1)c1cnccn1
InChIInChI=1S/C17H15N5O2S/c23-16(14-11-19-7-8-20-14)22-13-4-9-25-15(13)17(24)21-6-3-12-2-1-5-18-10-12/h1-2,4-5,7-11H,3,6H2,(H,21,24)(H,22,23)
InChIKeyRGACKZNWEALEAJ-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide

N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53335951) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53335951
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCCc1cccnc1)c1cnccn1
InChIInChI=1S/C17H15N5O2S/c23-16(14-11-19-7-8-20-14)22-13-4-9-25-15(13)17(24)21-6-3-12-2-1-5-18-10-12/h1-2,4-5,7-11H,3,6H2,(H,21,24)(H,22,23)
InChIKeyRGACKZNWEALEAJ-UHFFFAOYSA-N
XLogP2.16
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide (CID 53335951) is N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide is O=C(Nc1ccsc1C(=O)NCCc1cccnc1)c1cnccn1.
What is the InChIKey of N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is RGACKZNWEALEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c23-16(14-11-19-7-8-20-14)22-13-4-9-25-15(13)17(24)21-6-3-12-2-1-5-18-10-12/h1-2,4-5,7-11H,3,6H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53335951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).