2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine

C13H14N4 — CID 95846608

IUPAC2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine
SMILESc1cncc(-c2cnc([C@@H]3CCCN3)cn2)c1
InChIInChI=1S/C13H14N4/c1-3-10(7-14-5-1)12-8-17-13(9-16-12)11-4-2-6-15-11/h1,3,5,7-9,11,15H,2,4,6H2/t11-/m0/s1
InChIKeyHTIRNDSOZOMIST-NSHDSACASA-N
MW226.28 g/mol
LogP1.96
Rot. Bonds2

About 2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine

2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine (PubChem CID 95846608) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine
PubChem CID95846608
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine
SMILESc1cncc(-c2cnc([C@@H]3CCCN3)cn2)c1
InChIInChI=1S/C13H14N4/c1-3-10(7-14-5-1)12-8-17-13(9-16-12)11-4-2-6-15-11/h1,3,5,7-9,11,15H,2,4,6H2/t11-/m0/s1
InChIKeyHTIRNDSOZOMIST-NSHDSACASA-N
XLogP1.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine
CID 155988895
3-[5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-3-yl]pyridine;dihydrochloride
CID 146064513
2-(2-methylphenyl)-5-pyrrolidin-2-ylpyrazine
CID 155983162
2-(1H-imidazol-2-yl)-5-pyrrolidin-2-ylpyrazine
CID 132648027
3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine
CID 70888170
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine
CID 175660871
2-benzyl-5-pyrrolidin-2-ylpyrazine
CID 73440172
2-chloro-5-pyridin-3-ylpyrazine
CID 130802155
N-pyridin-2-yl-5-pyrrolidin-2-ylpyrazine-2-carboxamide
CID 110096564
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine (CID 95846608) is 2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine is c1cncc(-c2cnc([C@@H]3CCCN3)cn2)c1.
What is the InChIKey of 2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine?
The InChIKey is HTIRNDSOZOMIST-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N4/c1-3-10(7-14-5-1)12-8-17-13(9-16-12)11-4-2-6-15-11/h1,3,5,7-9,11,15H,2,4,6H2/t11-/m0/s1.
What are the key properties of 2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine?
2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine has a molecular weight of 226.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 95846608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).