2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile

C13H19N5 — CID 83015551

IUPAC2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(NN2CCN(C)CC2)c(C#N)c(C)n1
InChIInChI=1S/C13H19N5/c1-10-8-13(12(9-14)11(2)15-10)16-18-6-4-17(3)5-7-18/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyPVJUDHZNMHZTLT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.14
Rot. Bonds2

About 2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile

2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile (PubChem CID 83015551) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
PubChem CID83015551
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(NN2CCN(C)CC2)c(C#N)c(C)n1
InChIInChI=1S/C13H19N5/c1-10-8-13(12(9-14)11(2)15-10)16-18-6-4-17(3)5-7-18/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyPVJUDHZNMHZTLT-UHFFFAOYSA-N
XLogP1.14
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile (CID 83015551) is 2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile is Cc1cc(NN2CCN(C)CC2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile?
The InChIKey is PVJUDHZNMHZTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-8-13(12(9-14)11(2)15-10)16-18-6-4-17(3)5-7-18/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 83015551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).