6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile

C12H16N4 — CID 62406600

IUPAC6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCN1CCC(CNc2cccc(C#N)n2)C1
InChIInChI=1S/C12H16N4/c1-16-6-5-10(9-16)8-14-12-4-2-3-11(7-13)15-12/h2-4,10H,5-6,8-9H2,1H3,(H,14,15)
InChIKeyIBLUDINESDXSEZ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.32
Rot. Bonds3

About 6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile

6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 62406600) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
PubChem CID62406600
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCN1CCC(CNc2cccc(C#N)n2)C1
InChIInChI=1S/C12H16N4/c1-16-6-5-10(9-16)8-14-12-4-2-3-11(7-13)15-12/h2-4,10H,5-6,8-9H2,1H3,(H,14,15)
InChIKeyIBLUDINESDXSEZ-UHFFFAOYSA-N
XLogP1.32
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile (CID 62406600) is 6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile is CN1CCC(CNc2cccc(C#N)n2)C1.
What is the InChIKey of 6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is IBLUDINESDXSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-6-5-10(9-16)8-14-12-4-2-3-11(7-13)15-12/h2-4,10H,5-6,8-9H2,1H3,(H,14,15).
What are the key properties of 6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile?
6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 62406600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).