6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C24H38N6O2 — CID 164885410

IUPAC6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1nc(C(=O)NC)ccc1N1CCN(CC2CCC3NC(CC)C(=O)NC3C2)CC1
InChIInChI=1S/C24H38N6O2/c1-4-17-22(9-8-20(26-17)23(31)25-3)30-12-10-29(11-13-30)15-16-6-7-19-21(14-16)28-24(32)18(5-2)27-19/h8-9,16,18-19,21,27H,4-7,10-15H2,1-3H3,(H,25,31)(H,28,32)
InChIKeyPJQNSMDMAHEISH-UHFFFAOYSA-N
MW442.61 g/mol
LogP1.16
Rot. Bonds6

About 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 164885410) has the molecular formula C24H38N6O2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID164885410
Molecular FormulaC24H38N6O2
Molecular Weight442.61 g/mol
Exact Mass442.31
IUPAC Name6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1nc(C(=O)NC)ccc1N1CCN(CC2CCC3NC(CC)C(=O)NC3C2)CC1
InChIInChI=1S/C24H38N6O2/c1-4-17-22(9-8-20(26-17)23(31)25-3)30-12-10-29(11-13-30)15-16-6-7-19-21(14-16)28-24(32)18(5-2)27-19/h8-9,16,18-19,21,27H,4-7,10-15H2,1-3H3,(H,25,31)(H,28,32)
InChIKeyPJQNSMDMAHEISH-UHFFFAOYSA-N
XLogP1.16
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 164885410) is 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CCc1nc(C(=O)NC)ccc1N1CCN(CC2CCC3NC(CC)C(=O)NC3C2)CC1.
What is the InChIKey of 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is PJQNSMDMAHEISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O2/c1-4-17-22(9-8-20(26-17)23(31)25-3)30-12-10-29(11-13-30)15-16-6-7-19-21(14-16)28-24(32)18(5-2)27-19/h8-9,16,18-19,21,27H,4-7,10-15H2,1-3H3,(H,25,31)(H,28,32).
What are the key properties of 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 442.61 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[4-[(2-ethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 164885410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).