methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate

C17H20N4O2 — CID 133432159

IUPACmethyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(c3ccncc3)CC2)nc1C
InChIInChI=1S/C17H20N4O2/c1-13-15(17(22)23-2)3-4-16(19-13)21-11-9-20(10-12-21)14-5-7-18-8-6-14/h3-8H,9-12H2,1-2H3
InChIKeyLBQIKNNJOWBSPI-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.90
Rot. Bonds3

About methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate

methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate (PubChem CID 133432159) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
PubChem CID133432159
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namemethyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(c3ccncc3)CC2)nc1C
InChIInChI=1S/C17H20N4O2/c1-13-15(17(22)23-2)3-4-16(19-13)21-11-9-20(10-12-21)14-5-7-18-8-6-14/h3-8H,9-12H2,1-2H3
InChIKeyLBQIKNNJOWBSPI-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate (CID 133432159) is methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate is COC(=O)c1ccc(N2CCN(c3ccncc3)CC2)nc1C.
What is the InChIKey of methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate?
The InChIKey is LBQIKNNJOWBSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-15(17(22)23-2)3-4-16(19-13)21-11-9-20(10-12-21)14-5-7-18-8-6-14/h3-8H,9-12H2,1-2H3.
What are the key properties of methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate?
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133432159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).