methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate

C14H18N4O2 — CID 2769094

IUPACmethyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(N2CCN(C)CC2)nc1C
InChIInChI=1S/C14H18N4O2/c1-10-12(14(19)20-3)8-11(9-15)13(16-10)18-6-4-17(2)5-7-18/h8H,4-7H2,1-3H3
InChIKeyJTOVNYSEYGCFRK-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.80
Rot. Bonds2

About methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate

methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate (PubChem CID 2769094) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
PubChem CID2769094
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(N2CCN(C)CC2)nc1C
InChIInChI=1S/C14H18N4O2/c1-10-12(14(19)20-3)8-11(9-15)13(16-10)18-6-4-17(2)5-7-18/h8H,4-7H2,1-3H3
InChIKeyJTOVNYSEYGCFRK-UHFFFAOYSA-N
XLogP0.80
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate (CID 2769094) is methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate is COC(=O)c1cc(C#N)c(N2CCN(C)CC2)nc1C.
What is the InChIKey of methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate?
The InChIKey is JTOVNYSEYGCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-12(14(19)20-3)8-11(9-15)13(16-10)18-6-4-17(2)5-7-18/h8H,4-7H2,1-3H3.
What are the key properties of methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate?
methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-2-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 2769094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).