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

C13H19N5 — CID 63896552

IUPAC6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCN1CCN(C)C(CNc2ccc(C#N)cn2)C1
InChIInChI=1S/C13H19N5/c1-17-5-6-18(2)12(10-17)9-16-13-4-3-11(7-14)8-15-13/h3-4,8,12H,5-6,9-10H2,1-2H3,(H,15,16)
InChIKeyHTNZBOKGJLPFGM-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.61
Rot. Bonds3

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

6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 63896552) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID63896552
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCN1CCN(C)C(CNc2ccc(C#N)cn2)C1
InChIInChI=1S/C13H19N5/c1-17-5-6-18(2)12(10-17)9-16-13-4-3-11(7-14)8-15-13/h3-4,8,12H,5-6,9-10H2,1-2H3,(H,15,16)
InChIKeyHTNZBOKGJLPFGM-UHFFFAOYSA-N
XLogP0.61
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[(1,4-dimethylpiperazin-2-yl)methylamino]benzonitrile
CID 63899175
3-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridazine-4-carbonitrile
CID 80509844
3-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114287604
6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile
CID 133289535
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinoxalin-2-amine
CID 63898211
N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78954799
6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145761
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinolin-2-amine
CID 63896921
6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95154585
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
CID 63897051
6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile
CID 174274469
6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine
CID 80647172

Frequently Asked Questions

What is the IUPAC name of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile (CID 63896552) is 6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile is CN1CCN(C)C(CNc2ccc(C#N)cn2)C1.
What is the InChIKey of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is HTNZBOKGJLPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17-5-6-18(2)12(10-17)9-16-13-4-3-11(7-14)8-15-13/h3-4,8,12H,5-6,9-10H2,1-2H3,(H,15,16).
What are the key properties of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile?
6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 63896552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).