6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile

C17H18N4 — CID 64589848

IUPAC6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCN1CCN(c2cccc(C#N)n2)C(c2ccccc2)C1
InChIInChI=1S/C17H18N4/c1-20-10-11-21(17-9-5-8-15(12-18)19-17)16(13-20)14-6-3-2-4-7-14/h2-9,16H,10-11,13H2,1H3
InChIKeyRGCTUKCCNFSTDP-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.45
Rot. Bonds2

About 6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile

6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile (PubChem CID 64589848) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile
PubChem CID64589848
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCN1CCN(c2cccc(C#N)n2)C(c2ccccc2)C1
InChIInChI=1S/C17H18N4/c1-20-10-11-21(17-9-5-8-15(12-18)19-17)16(13-20)14-6-3-2-4-7-14/h2-9,16H,10-11,13H2,1H3
InChIKeyRGCTUKCCNFSTDP-UHFFFAOYSA-N
XLogP2.45
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile (CID 64589848) is 6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile is CN1CCN(c2cccc(C#N)n2)C(c2ccccc2)C1.
What is the InChIKey of 6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile?
The InChIKey is RGCTUKCCNFSTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-20-10-11-21(17-9-5-8-15(12-18)19-17)16(13-20)14-6-3-2-4-7-14/h2-9,16H,10-11,13H2,1H3.
What are the key properties of 6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile?
6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 64589848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).