N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

C14H16N4OS — CID 134161550

IUPACN-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccsc2)C1)c1cnccn1
InChIInChI=1S/C14H16N4OS/c19-14(13-7-15-3-4-16-13)17-12-1-5-18(9-12)8-11-2-6-20-10-11/h2-4,6-7,10,12H,1,5,8-9H2,(H,17,19)
InChIKeyJSRGEUWXKYIEAG-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.54
Rot. Bonds4

About N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 134161550) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID134161550
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccsc2)C1)c1cnccn1
InChIInChI=1S/C14H16N4OS/c19-14(13-7-15-3-4-16-13)17-12-1-5-18(9-12)8-11-2-6-20-10-11/h2-4,6-7,10,12H,1,5,8-9H2,(H,17,19)
InChIKeyJSRGEUWXKYIEAG-UHFFFAOYSA-N
XLogP1.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133362
[(3aS,7aR)-2-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 124916102
N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 70765365
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 126851459
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 164635055
4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
CID 126851463
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94024983
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-[(3S,3aS,7aS)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171672488
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 16613410

Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 134161550) is N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is O=C(NC1CCN(Cc2ccsc2)C1)c1cnccn1.
What is the InChIKey of N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is JSRGEUWXKYIEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-14(13-7-15-3-4-16-13)17-12-1-5-18(9-12)8-11-2-6-20-10-11/h2-4,6-7,10,12H,1,5,8-9H2,(H,17,19).
What are the key properties of N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 134161550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).