(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide

C13H14N4O2S — CID 100754062

IUPAC(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C13H14N4O2S/c18-13(16-12-2-1-7-20-12)17-6-3-10(9-17)19-11-8-14-4-5-15-11/h1-2,4-5,7-8,10H,3,6,9H2,(H,16,18)/t10-/m0/s1
InChIKeyZMUJVLKSMNAJQI-JTQLQIEISA-N
MW290.35 g/mol
LogP2.22
Rot. Bonds3

About (3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide

(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 100754062) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is (3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID100754062
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C13H14N4O2S/c18-13(16-12-2-1-7-20-12)17-6-3-10(9-17)19-11-8-14-4-5-15-11/h1-2,4-5,7-8,10H,3,6,9H2,(H,16,18)/t10-/m0/s1
InChIKeyZMUJVLKSMNAJQI-JTQLQIEISA-N
XLogP2.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100633412
N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
CID 90636300
(3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100740167
3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 91815876
4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide
CID 90558841
3-pyrazin-2-yloxy-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 91627924
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248492
N-thiophen-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798781
N-(2,6-difluorophenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 71799286
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458

Frequently Asked Questions

What is the IUPAC name of (3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide (CID 100754062) is (3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(Nc1cccs1)N1CC[C@H](Oc2cnccn2)C1.
What is the InChIKey of (3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is ZMUJVLKSMNAJQI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-13(16-12-2-1-7-20-12)17-6-3-10(9-17)19-11-8-14-4-5-15-11/h1-2,4-5,7-8,10H,3,6,9H2,(H,16,18)/t10-/m0/s1.
What are the key properties of (3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide?
(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 100754062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).