2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

C15H23N5 — CID 63899165

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C15H23N5/c1-11-7-12(2)18-15(14(11)8-16)17-9-13-10-19(3)5-6-20(13)4/h7,13H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyGPHNOLNVKDOYAJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.23
Rot. Bonds3

About 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 63899165) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID63899165
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C15H23N5/c1-11-7-12(2)18-15(14(11)8-16)17-9-13-10-19(3)5-6-20(13)4/h7,13H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyGPHNOLNVKDOYAJ-UHFFFAOYSA-N
XLogP1.23
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 63899165) is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCC2CN(C)CCN2C)n1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is GPHNOLNVKDOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11-7-12(2)18-15(14(11)8-16)17-9-13-10-19(3)5-6-20(13)4/h7,13H,5-6,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 63899165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).