5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide

C23H28N6O2 — CID 175850878

IUPAC5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3C)CC2)c(C)n1
InChIInChI=1S/C23H28N6O2/c1-14-17(5-6-18-21(14)27-22(30)16(3)26-18)13-28-9-11-29(12-10-28)20-8-7-19(23(31)24-4)25-15(20)2/h5-8H,9-13H2,1-4H3,(H,24,31)(H,27,30)/i4D3
InChIKeySTGKVKIQXWOWGS-GKOSEXJESA-N
MW423.54 g/mol
LogP1.93
Rot. Bonds5

About 5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide

5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide (PubChem CID 175850878) has the molecular formula C23H28N6O2 and a molecular weight of 423.54 g/mol. Its IUPAC name is 5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide
PubChem CID175850878
Molecular FormulaC23H28N6O2
Molecular Weight423.54 g/mol
Exact Mass423.25
IUPAC Name5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3C)CC2)c(C)n1
InChIInChI=1S/C23H28N6O2/c1-14-17(5-6-18-21(14)27-22(30)16(3)26-18)13-28-9-11-29(12-10-28)20-8-7-19(23(31)24-4)25-15(20)2/h5-8H,9-13H2,1-4H3,(H,24,31)(H,27,30)/i4D3
InChIKeySTGKVKIQXWOWGS-GKOSEXJESA-N
XLogP1.93
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524577
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
5-[4-[(5-chloro-2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 162524449
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536
6-methyl-5-[4-[(3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 175850852
N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110805
5-[4-[(6-fluoro-2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 172560072
N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
CID 175560156
6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 172560130
N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171484069
6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 178131995
6-fluoro-N-methyl-5-[4-[(6-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572839

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide (CID 175850878) is 5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide is [2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3C)CC2)c(C)n1.
What is the InChIKey of 5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide?
The InChIKey is STGKVKIQXWOWGS-GKOSEXJESA-N. The full InChI is InChI=1S/C23H28N6O2/c1-14-17(5-6-18-21(14)27-22(30)16(3)26-18)13-28-9-11-29(12-10-28)20-8-7-19(23(31)24-4)25-15(20)2/h5-8H,9-13H2,1-4H3,(H,24,31)(H,27,30)/i4D3.
What are the key properties of 5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide?
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175850878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).