methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate

C15H20N4O3 — CID 50976612

IUPACmethyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCN3CCNC(=O)C3C2)n1
InChIInChI=1S/C15H20N4O3/c1-22-15(21)12-4-2-3-11(17-12)9-18-7-8-19-6-5-16-14(20)13(19)10-18/h2-4,13H,5-10H2,1H3,(H,16,20)
InChIKeyMPYAQOSIXVIIHC-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.52
Rot. Bonds3

About methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate

methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate (PubChem CID 50976612) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate
PubChem CID50976612
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Namemethyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCN3CCNC(=O)C3C2)n1
InChIInChI=1S/C15H20N4O3/c1-22-15(21)12-4-2-3-11(17-12)9-18-7-8-19-6-5-16-14(20)13(19)10-18/h2-4,13H,5-10H2,1H3,(H,16,20)
InChIKeyMPYAQOSIXVIIHC-UHFFFAOYSA-N
XLogP-0.52
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

Bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 2999823
Bis[2-(3-methylbutan-2-ylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 3887546
Methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3965403
6-(Cyclohexylcarbamoyl)pyridine-2-carboxylic acid
CID 43558256
6-[(Propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 43558264
methyl 6-[(4-oxo-5,6,7,8-tetrahydro-1H-phthalazin-1-yl)methyl]pyridine-2-carboxylate
CID 124220912
Methyl 6-(aminomethyl)picolinate
CID 29921664
Methyl 5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxylate
CID 122163606
Methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate dihydrochloride
CID 132322757
Methyl 6-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 46394478
Methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate
CID 46394503
methyl 6-[[(2S)-4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]carbamoyl]pyridine-2-carboxylate
CID 155529531

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate (CID 50976612) is methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCN3CCNC(=O)C3C2)n1.
What is the InChIKey of methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate?
The InChIKey is MPYAQOSIXVIIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-22-15(21)12-4-2-3-11(17-12)9-18-7-8-19-6-5-16-14(20)13(19)10-18/h2-4,13H,5-10H2,1H3,(H,16,20).
What are the key properties of methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 50976612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).