3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile

C16H19N7 — CID 155800157

IUPAC3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCN(C)c1ccnc(N2CCN(c3cnccc3C#N)CC2)n1
InChIInChI=1S/C16H19N7/c1-21(2)15-4-6-19-16(20-15)23-9-7-22(8-10-23)14-12-18-5-3-13(14)11-17/h3-6,12H,7-10H2,1-2H3
InChIKeyLCOUYKWUVITUDI-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.14
Rot. Bonds3

About 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile

3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 155800157) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID155800157
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCN(C)c1ccnc(N2CCN(c3cnccc3C#N)CC2)n1
InChIInChI=1S/C16H19N7/c1-21(2)15-4-6-19-16(20-15)23-9-7-22(8-10-23)14-12-18-5-3-13(14)11-17/h3-6,12H,7-10H2,1-2H3
InChIKeyLCOUYKWUVITUDI-UHFFFAOYSA-N
XLogP1.14
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile (CID 155800157) is 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile is CN(C)c1ccnc(N2CCN(c3cnccc3C#N)CC2)n1.
What is the InChIKey of 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is LCOUYKWUVITUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-21(2)15-4-6-19-16(20-15)23-9-7-22(8-10-23)14-12-18-5-3-13(14)11-17/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile?
3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 309.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 155800157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).