5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

C15H21N5O — CID 128989370

IUPAC5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(c2cnc(C#N)cn2)C1
InChIInChI=1S/C15H21N5O/c1-21-14-6-13(10-19-4-2-3-5-19)20(11-14)15-9-17-12(7-16)8-18-15/h8-9,13-14H,2-6,10-11H2,1H3/t13-,14-/m0/s1
InChIKeyOAWJRCMPNYATOM-KBPBESRZSA-N
MW287.37 g/mol
LogP1.04
Rot. Bonds4

About 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 128989370) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID128989370
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(c2cnc(C#N)cn2)C1
InChIInChI=1S/C15H21N5O/c1-21-14-6-13(10-19-4-2-3-5-19)20(11-14)15-9-17-12(7-16)8-18-15/h8-9,13-14H,2-6,10-11H2,1H3/t13-,14-/m0/s1
InChIKeyOAWJRCMPNYATOM-KBPBESRZSA-N
XLogP1.04
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 128989370) is 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is CO[C@H]1C[C@@H](CN2CCCC2)N(c2cnc(C#N)cn2)C1.
What is the InChIKey of 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is OAWJRCMPNYATOM-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21N5O/c1-21-14-6-13(10-19-4-2-3-5-19)20(11-14)15-9-17-12(7-16)8-18-15/h8-9,13-14H,2-6,10-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 128989370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).