3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile

C14H21N5 — CID 164633815

IUPAC3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile
SMILESCC(C)[C@H](CNc1nccnc1C#N)N1CCCC1
InChIInChI=1S/C14H21N5/c1-11(2)13(19-7-3-4-8-19)10-18-14-12(9-15)16-5-6-17-14/h5-6,11,13H,3-4,7-8,10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyMDSOVQSSVQCIBD-ZDUSSCGKSA-N
MW259.36 g/mol
LogP1.88
Rot. Bonds5

About 3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile

3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile (PubChem CID 164633815) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile
PubChem CID164633815
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile
SMILESCC(C)[C@H](CNc1nccnc1C#N)N1CCCC1
InChIInChI=1S/C14H21N5/c1-11(2)13(19-7-3-4-8-19)10-18-14-12(9-15)16-5-6-17-14/h5-6,11,13H,3-4,7-8,10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyMDSOVQSSVQCIBD-ZDUSSCGKSA-N
XLogP1.88
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile (CID 164633815) is 3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile is CC(C)[C@H](CNc1nccnc1C#N)N1CCCC1.
What is the InChIKey of 3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile?
The InChIKey is MDSOVQSSVQCIBD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(2)13(19-7-3-4-8-19)10-18-14-12(9-15)16-5-6-17-14/h5-6,11,13H,3-4,7-8,10H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile?
3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 164633815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).