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

C15H19N5O2 — CID 128978140

IUPAC5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2cnc(C#N)cn2)C1
InChIInChI=1S/C15H19N5O2/c1-22-12-6-13(15(21)19-4-2-3-5-19)20(10-12)14-9-17-11(7-16)8-18-14/h8-9,12-13H,2-6,10H2,1H3/t12-,13-/m0/s1
InChIKeyFDZFRJXXMFCMDO-STQMWFEESA-N
MW301.35 g/mol
LogP0.56
Rot. Bonds3

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

5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 128978140) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID128978140
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2cnc(C#N)cn2)C1
InChIInChI=1S/C15H19N5O2/c1-22-12-6-13(15(21)19-4-2-3-5-19)20(10-12)14-9-17-11(7-16)8-18-14/h8-9,12-13H,2-6,10H2,1H3/t12-,13-/m0/s1
InChIKeyFDZFRJXXMFCMDO-STQMWFEESA-N
XLogP0.56
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.56
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-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 128978140) is 5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2cnc(C#N)cn2)C1.
What is the InChIKey of 5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is FDZFRJXXMFCMDO-STQMWFEESA-N. The full InChI is InChI=1S/C15H19N5O2/c1-22-12-6-13(15(21)19-4-2-3-5-19)20(10-12)14-9-17-11(7-16)8-18-14/h8-9,12-13H,2-6,10H2,1H3/t12-,13-/m0/s1.
What are the key properties of 5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(2S,4S)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 301.35 g/mol, XLogP of 0.56, 3 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-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 128978140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).