N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen

C120H236N32O24 — CID 158947249

IUPACN-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen
SMILESCC(=O)CCC(=O)N(C)CCNC(=O)[13CH2][15N]1[13CH2][13CH2][15N]([13CH3])[13CH2][13CH2]1.C[13C](=O)CC[13C](=O)N(C)CCNC(=O)[13CH2][15N]1CC[15N]([13CH3])[13CH2][13CH2]1.C[13C](=O)CC[13C](=O)N(C)CCN[13C](=O)C[15N]1CC[15N]([13CH3])[13CH2][13CH2]1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)CCNC(=O)[13CH2][15N]1CCN(C)[13CH2][13CH2]1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)CCN[13C](=O)C[15N]1CCN(C)[13CH2][13CH2]1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)C[13CH2][15NH]C(=O)[13CH2][15N]1CCN(C)CC1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)C[13CH2][15NH][13C](=O)[13CH2]N1CCN(C)CC1.C[13C](=O)[13CH2][13CH2][13C](=O)[15N]([13CH3])[13CH2][13CH2]NC(=O)CN1CCN(C)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/8C15H28N4O3.6H2/c8*1-13(20)4-5-15(22)18(3)7-6-16-14(21)12-19-10-8-17(2)9-11-19;;;;;;/h8*4-12H2,1-3H3,(H,16,21);6*1H/i4+1,5+1,8+1,10+1,13+1,14+1,15+1,19+1;4+1,5+1,8+1,10+1,12+1,13+1,15+1,19+1;4+1,5+1,6+1,12+1,13+1,15+1,16+1,19+1;4+1,5+1,6+1,12+1,13+1,14+1,15+1,16+1;3+1,4+1,5+1,6+1,7+1,13+1,15+1,18+1;2+1,8+1,10+1,13+1,14+1,15+1,17+1,19+1;2+1,8+1,10+1,12+1,13+1,15+1,17+1,19+1;2+1,8+1,9+1,10+1,11+1,12+1,17+1,19+1;;;;;;
InChIKeyJKYYVJPSHGYRCD-JEKQMNIDSA-N
MW2574.93 g/mol
LogP-5.10
Rot. Bonds64

About N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen

N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen (PubChem CID 158947249) has the molecular formula C120H236N32O24 and a molecular weight of 2574.93 g/mol. Its IUPAC name is N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen
PubChem CID158947249
Molecular FormulaC120H236N32O24
Molecular Weight2574.93 g/mol
Exact Mass2573.96
IUPAC NameN-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen
SMILESCC(=O)CCC(=O)N(C)CCNC(=O)[13CH2][15N]1[13CH2][13CH2][15N]([13CH3])[13CH2][13CH2]1.C[13C](=O)CC[13C](=O)N(C)CCNC(=O)[13CH2][15N]1CC[15N]([13CH3])[13CH2][13CH2]1.C[13C](=O)CC[13C](=O)N(C)CCN[13C](=O)C[15N]1CC[15N]([13CH3])[13CH2][13CH2]1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)CCNC(=O)[13CH2][15N]1CCN(C)[13CH2][13CH2]1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)CCN[13C](=O)C[15N]1CCN(C)[13CH2][13CH2]1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)C[13CH2][15NH]C(=O)[13CH2][15N]1CCN(C)CC1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)C[13CH2][15NH][13C](=O)[13CH2]N1CCN(C)CC1.C[13C](=O)[13CH2][13CH2][13C](=O)[15N]([13CH3])[13CH2][13CH2]NC(=O)CN1CCN(C)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/8C15H28N4O3.6H2/c8*1-13(20)4-5-15(22)18(3)7-6-16-14(21)12-19-10-8-17(2)9-11-19;;;;;;/h8*4-12H2,1-3H3,(H,16,21);6*1H/i4+1,5+1,8+1,10+1,13+1,14+1,15+1,19+1;4+1,5+1,8+1,10+1,12+1,13+1,15+1,19+1;4+1,5+1,6+1,12+1,13+1,15+1,16+1,19+1;4+1,5+1,6+1,12+1,13+1,14+1,15+1,16+1;3+1,4+1,5+1,6+1,7+1,13+1,15+1,18+1;2+1,8+1,10+1,13+1,14+1,15+1,17+1,19+1;2+1,8+1,10+1,12+1,13+1,15+1,17+1,19+1;2+1,8+1,9+1,10+1,11+1,12+1,17+1,19+1;;;;;;
InChIKeyJKYYVJPSHGYRCD-JEKQMNIDSA-N
XLogP-5.10
TPSA583.68 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds64
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002574.93
LogP ≤ 5-5.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen?
The IUPAC name of N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen (CID 158947249) is N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen.
What is the SMILES notation for N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen?
The canonical SMILES for N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen is CC(=O)CCC(=O)N(C)CCNC(=O)[13CH2][15N]1[13CH2][13CH2][15N]([13CH3])[13CH2][13CH2]1.C[13C](=O)CC[13C](=O)N(C)CCNC(=O)[13CH2][15N]1CC[15N]([13CH3])[13CH2][13CH2]1.C[13C](=O)CC[13C](=O)N(C)CCN[13C](=O)C[15N]1CC[15N]([13CH3])[13CH2][13CH2]1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)CCNC(=O)[13CH2][15N]1CCN(C)[13CH2][13CH2]1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)CCN[13C](=O)C[15N]1CCN(C)[13CH2][13CH2]1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)C[13CH2][15NH]C(=O)[13CH2][15N]1CCN(C)CC1.C[13C](=O)[13CH2][13CH2][13C](=O)N(C)C[13CH2][15NH][13C](=O)[13CH2]N1CCN(C)CC1.C[13C](=O)[13CH2][13CH2][13C](=O)[15N]([13CH3])[13CH2][13CH2]NC(=O)CN1CCN(C)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen?
The InChIKey is JKYYVJPSHGYRCD-JEKQMNIDSA-N. The full InChI is InChI=1S/8C15H28N4O3.6H2/c8*1-13(20)4-5-15(22)18(3)7-6-16-14(21)12-19-10-8-17(2)9-11-19;;;;;;/h8*4-12H2,1-3H3,(H,16,21);6*1H/i4+1,5+1,8+1,10+1,13+1,14+1,15+1,19+1;4+1,5+1,8+1,10+1,12+1,13+1,15+1,19+1;4+1,5+1,6+1,12+1,13+1,15+1,16+1,19+1;4+1,5+1,6+1,12+1,13+1,14+1,15+1,16+1;3+1,4+1,5+1,6+1,7+1,13+1,15+1,18+1;2+1,8+1,10+1,13+1,14+1,15+1,17+1,19+1;2+1,8+1,10+1,12+1,13+1,15+1,17+1,19+1;2+1,8+1,9+1,10+1,11+1,12+1,17+1,19+1;;;;;;.
What are the key properties of N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen?
N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen has a molecular weight of 2574.93 g/mol, XLogP of -5.10, 64 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[2-(4-(113C)methyl-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxopentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-(113C)methyl-(5,6-13C2,1,4-15N2)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,4-13C2)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(115N)1,4-diazinan-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-methyl-N-[2-[[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetyl]amino]ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;N-(113C)methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino](1,2-13C2)ethyl]-4-oxo(1,2,3,4-13C4)pentan(15N)amide;N-methyl-N-[2-[[2-(4-methylpiperazin-1-yl)acetyl](15N)amino](213C)ethyl]-4-oxo(1,2,3,4-13C4)pentanamide;molecular hydrogen is sourced from PubChem (CID 158947249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).