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

Name: 3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₉N₇ — CID 155800157

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID	155800157
Molecular Formula	C₁₆H₁₉N₇
Molecular Weight	309.38 g/mol
Exact Mass	309.17
IUPAC Name	3-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile
SMILES	CN(C)c1ccnc(N2CCN(c3cnccc3C#N)CC2)n1
InChI	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
InChIKey	LCOUYKWUVITUDI-UHFFFAOYSA-N
XLogP	1.14
TPSA	72.18 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.38
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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).

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Sources

PubChem CID 155800157 — identifiers, structure, computed properties (public domain)

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