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

C15H19N5OS — CID 126829572

IUPAC3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C15H19N5OS/c16-14(21)13-15(18-6-5-17-13)19-10-11(12-4-3-9-22-12)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2,(H2,16,21)(H,18,19)
InChIKeyAFCNTGLALPLCNE-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.89
Rot. Bonds6

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

3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide (PubChem CID 126829572) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide
PubChem CID126829572
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C15H19N5OS/c16-14(21)13-15(18-6-5-17-13)19-10-11(12-4-3-9-22-12)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2,(H2,16,21)(H,18,19)
InChIKeyAFCNTGLALPLCNE-UHFFFAOYSA-N
XLogP1.89
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 42940363
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
[5-chloro-6-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56585111
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 86917672
methyl 5-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxylate
CID 126820977
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)but-2-enamide
CID 134057487
4,6-dimethyl-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]pyridine-3-carboxamide
CID 17445790
3-(2-aminopropylamino)pyrazine-2-carboxamide
CID 63732548
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
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
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide?
The IUPAC name of 3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide (CID 126829572) is 3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide is NC(=O)c1nccnc1NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide?
The InChIKey is AFCNTGLALPLCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c16-14(21)13-15(18-6-5-17-13)19-10-11(12-4-3-9-22-12)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2,(H2,16,21)(H,18,19).
What are the key properties of 3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide?
3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 126829572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).