6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile

C17H18N4 — CID 14011873

IUPAC6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile
SMILESCc1nc(N2CCNCC2)c(C#N)cc1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-13-16(14-5-3-2-4-6-14)11-15(12-18)17(20-13)21-9-7-19-8-10-21/h2-6,11,19H,7-10H2,1H3
InChIKeyONNMZKBMDYUSFA-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.34
Rot. Bonds2

About 6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile

6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile (PubChem CID 14011873) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile
PubChem CID14011873
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile
SMILESCc1nc(N2CCNCC2)c(C#N)cc1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-13-16(14-5-3-2-4-6-14)11-15(12-18)17(20-13)21-9-7-19-8-10-21/h2-6,11,19H,7-10H2,1H3
InChIKeyONNMZKBMDYUSFA-UHFFFAOYSA-N
XLogP2.34
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile (CID 14011873) is 6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile is Cc1nc(N2CCNCC2)c(C#N)cc1-c1ccccc1.
What is the InChIKey of 6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile?
The InChIKey is ONNMZKBMDYUSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-16(14-5-3-2-4-6-14)11-15(12-18)17(20-13)21-9-7-19-8-10-21/h2-6,11,19H,7-10H2,1H3.
What are the key properties of 6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile?
6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 14011873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).