1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile

C12H15N3 — CID 79267259

IUPAC1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile
SMILESCc1cccc(CN2CCCC2C#N)n1
InChIInChI=1S/C12H15N3/c1-10-4-2-5-11(14-10)9-15-7-3-6-12(15)8-13/h2,4-5,12H,3,6-7,9H2,1H3
InChIKeyVUSUAXIKIGOQSS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.88
Rot. Bonds2

About 1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile

1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile (PubChem CID 79267259) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile
PubChem CID79267259
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile
SMILESCc1cccc(CN2CCCC2C#N)n1
InChIInChI=1S/C12H15N3/c1-10-4-2-5-11(14-10)9-15-7-3-6-12(15)8-13/h2,4-5,12H,3,6-7,9H2,1H3
InChIKeyVUSUAXIKIGOQSS-UHFFFAOYSA-N
XLogP1.88
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile (CID 79267259) is 1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile is Cc1cccc(CN2CCCC2C#N)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile?
The InChIKey is VUSUAXIKIGOQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-4-2-5-11(14-10)9-15-7-3-6-12(15)8-13/h2,4-5,12H,3,6-7,9H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile?
1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 79267259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).