6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide

C12H18N4O — CID 177300833

IUPAC6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCNCC2)nc1)C([2H])([2H])[2H]
InChIInChI=1S/C12H18N4O/c1-15(2)12(17)10-3-4-11(14-9-10)16-7-5-13-6-8-16/h3-4,9,13H,5-8H2,1-2H3/i1D3,2D3
InChIKeyYCEPJLOTPCEEAD-WFGJKAKNSA-N
MW240.34 g/mol
LogP0.19
Rot. Bonds4

About 6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide

6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 177300833) has the molecular formula C12H18N4O and a molecular weight of 240.34 g/mol. Its IUPAC name is 6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID177300833
Molecular FormulaC12H18N4O
Molecular Weight240.34 g/mol
Exact Mass240.19
IUPAC Name6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCNCC2)nc1)C([2H])([2H])[2H]
InChIInChI=1S/C12H18N4O/c1-15(2)12(17)10-3-4-11(14-9-10)16-7-5-13-6-8-16/h3-4,9,13H,5-8H2,1-2H3/i1D3,2D3
InChIKeyYCEPJLOTPCEEAD-WFGJKAKNSA-N
XLogP0.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide (CID 177300833) is 6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])N(C(=O)c1ccc(N2CCNCC2)nc1)C([2H])([2H])[2H].
What is the InChIKey of 6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is YCEPJLOTPCEEAD-WFGJKAKNSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15(2)12(17)10-3-4-11(14-9-10)16-7-5-13-6-8-16/h3-4,9,13H,5-8H2,1-2H3/i1D3,2D3.
What are the key properties of 6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide?
6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 240.34 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-N,N-bis(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 177300833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).