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

C12H16N4 — CID 115300809

IUPAC6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCNC1CCN(c2nc(C)ccc2C#N)C1
InChIInChI=1S/C12H16N4/c1-9-3-4-10(7-13)12(15-9)16-6-5-11(8-16)14-2/h3-4,11,14H,5-6,8H2,1-2H3
InChIKeyCUAVCBIWIAFJNM-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.06
Rot. Bonds2

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

6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 115300809) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID115300809
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCNC1CCN(c2nc(C)ccc2C#N)C1
InChIInChI=1S/C12H16N4/c1-9-3-4-10(7-13)12(15-9)16-6-5-11(8-16)14-2/h3-4,11,14H,5-6,8H2,1-2H3
InChIKeyCUAVCBIWIAFJNM-UHFFFAOYSA-N
XLogP1.06
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 115300809) is 6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile is CNC1CCN(c2nc(C)ccc2C#N)C1.
What is the InChIKey of 6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is CUAVCBIWIAFJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-3-4-10(7-13)12(15-9)16-6-5-11(8-16)14-2/h3-4,11,14H,5-6,8H2,1-2H3.
What are the key properties of 6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 115300809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).