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

C14H16N4OS — CID 164631873

IUPACN-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCN(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)/t12-/m0/s1
InChIKeyJSRGEUWXKYIEAG-LBPRGKRZSA-N
MW288.38 g/mol
LogP1.54
Rot. Bonds4

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

N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 164631873) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID164631873
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCN(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)/t12-/m0/s1
InChIKeyJSRGEUWXKYIEAG-LBPRGKRZSA-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

Analyze N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 164631873) is N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1cnccn1.
What is the InChIKey of N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is JSRGEUWXKYIEAG-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
N-[(3S)-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-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 164631873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).