3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide

C15H19N5OS — CID 42940363

IUPAC3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C15H19N5OS/c16-14-13(17-5-6-18-14)15(21)19-10-11(12-4-3-9-22-12)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2,(H2,16,18)(H,19,21)
InChIKeyVHHZMDJCTROOLI-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.69
Rot. Bonds5

About 3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide

3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 42940363) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide
PubChem CID42940363
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C15H19N5OS/c16-14-13(17-5-6-18-14)15(21)19-10-11(12-4-3-9-22-12)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2,(H2,16,18)(H,19,21)
InChIKeyVHHZMDJCTROOLI-UHFFFAOYSA-N
XLogP1.69
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide
CID 126829572
2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
CID 119946170
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 55950744
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 86917672
N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-3-carboxamide
CID 39987542
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 42883480
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34979612

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide (CID 42940363) is 3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is VHHZMDJCTROOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c16-14-13(17-5-6-18-14)15(21)19-10-11(12-4-3-9-22-12)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2,(H2,16,18)(H,19,21).
What are the key properties of 3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide?
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 42940363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).