5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile

C16H18N6 — CID 128993532

IUPAC5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
SMILESCN1CC[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1cccnc1
InChIInChI=1S/C16H18N6/c1-22-6-4-13(16(22)12-3-2-5-18-8-12)9-20-15-11-19-14(7-17)10-21-15/h2-3,5,8,10-11,13,16H,4,6,9H2,1H3,(H,20,21)/t13-,16-/m0/s1
InChIKeyOEPAYYABVIAAOU-BBRMVZONSA-N
MW294.36 g/mol
LogP1.85
Rot. Bonds4

About 5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile

5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile (PubChem CID 128993532) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
PubChem CID128993532
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
SMILESCN1CC[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1cccnc1
InChIInChI=1S/C16H18N6/c1-22-6-4-13(16(22)12-3-2-5-18-8-12)9-20-15-11-19-14(7-17)10-21-15/h2-3,5,8,10-11,13,16H,4,6,9H2,1H3,(H,20,21)/t13-,16-/m0/s1
InChIKeyOEPAYYABVIAAOU-BBRMVZONSA-N
XLogP1.85
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol
CID 128968917
3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 10330622
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
6-(3-methylpyrazol-1-yl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 167828754
1-cyclohexyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]methanamine
CID 128997853
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine
CID 167757288
(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
CID 67821180
4-cyano-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 128990717
N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997727
[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol
CID 129004287
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 129000980
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997330

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile (CID 128993532) is 5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile is CN1CC[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1cccnc1.
What is the InChIKey of 5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is OEPAYYABVIAAOU-BBRMVZONSA-N. The full InChI is InChI=1S/C16H18N6/c1-22-6-4-13(16(22)12-3-2-5-18-8-12)9-20-15-11-19-14(7-17)10-21-15/h2-3,5,8,10-11,13,16H,4,6,9H2,1H3,(H,20,21)/t13-,16-/m0/s1.
What are the key properties of 5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile?
5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 128993532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).