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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Related Compounds

1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 160768600
(6-piperazin-1-yl-3-pyridinyl)methanol
CID 23385573
N-methyl-6-pyrrolidin-1-yl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119550921
(1E)-4-methyl-2-(6-piperazin-1-yl-3-pyridinyl)penta-1,3-dien-1-amine
CID 118203917
methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate
CID 139530958
6-[4-(2-aminoethoxy)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 82688178
dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane
CID 143709729
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119358653
N,N-dimethyl-6-(3-methyl-3-phenylpiperidin-1-yl)pyridine-3-carboxamide
CID 72920375
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761

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).