2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide

C25H32N8O5 — CID 167514419

IUPAC2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide
SMILESCc1cc(NC(=O)CN(C)C)nc2c1CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C25H32N8O5/c1-14-6-19(29-21(34)12-32(2)3)28-18-8-15(7-17(14)18)9-26-5-4-16-11-33(25(36)38-16)20-10-27-24-23(30-20)31-22(35)13-37-24/h6,10,15-16,26H,4-5,7-9,11-13H2,1-3H3,(H,28,29,34)(H,30,31,35)
InChIKeyQUYSSEYJBOCDNF-UHFFFAOYSA-N
MW524.58 g/mol
LogP0.73
Rot. Bonds9

About 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide

2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide (PubChem CID 167514419) has the molecular formula C25H32N8O5 and a molecular weight of 524.58 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide
PubChem CID167514419
Molecular FormulaC25H32N8O5
Molecular Weight524.58 g/mol
Exact Mass524.25
IUPAC Name2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide
SMILESCc1cc(NC(=O)CN(C)C)nc2c1CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C25H32N8O5/c1-14-6-19(29-21(34)12-32(2)3)28-18-8-15(7-17(14)18)9-26-5-4-16-11-33(25(36)38-16)20-10-27-24-23(30-20)31-22(35)13-37-24/h6,10,15-16,26H,4-5,7-9,11-13H2,1-3H3,(H,28,29,34)(H,30,31,35)
InChIKeyQUYSSEYJBOCDNF-UHFFFAOYSA-N
XLogP0.73
TPSA150.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.58
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide with MolForge

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Related Compounds

2-(dimethylamino)-N-[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 167514424
6-[5-[2-[(1-chloro-4-fluoro-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156862015
6-[(5R)-5-[2-[[(6S)-4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156862350
2-(dimethylamino)-N-[7-fluoro-2-[[2-[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
CID 175552422
2-[[7-fluoro-2-[[2-[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 156862901
N-ethyl-2-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 156861873
2-amino-N-[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
CID 167514439
6-[(5R)-5-[2-[[6-(2-amino-2-methylpropoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156861855
6-[5-[2-[[6-(1-acetylazetidin-3-yl)oxy-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid
CID 166759432
(3S)-3-amino-4-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]amino]-4-oxobutanoic acid
CID 167514619
3-amino-4-[[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]amino]-4-oxobutanoic acid
CID 167514454
(2R)-2-amino-N-[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methoxypropanamide
CID 167514645

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide (CID 167514419) is 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide is Cc1cc(NC(=O)CN(C)C)nc2c1CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2.
What is the InChIKey of 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide?
The InChIKey is QUYSSEYJBOCDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O5/c1-14-6-19(29-21(34)12-32(2)3)28-18-8-15(7-17(14)18)9-26-5-4-16-11-33(25(36)38-16)20-10-27-24-23(30-20)31-22(35)13-37-24/h6,10,15-16,26H,4-5,7-9,11-13H2,1-3H3,(H,28,29,34)(H,30,31,35).
What are the key properties of 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide?
2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide has a molecular weight of 524.58 g/mol, XLogP of 0.73, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-methyl-6-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]acetamide is sourced from PubChem (CID 167514419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).