2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

C16H26N6O8 — CID 88553786

IUPAC2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
SMILESCC(C#N)(/N=N/C(C)(C#N)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C16H26N6O8/c1-13(3-17,11(29)19-15(5-23,6-24)7-25)21-22-14(2,4-18)12(30)20-16(8-26,9-27)10-28/h23-28H,5-10H2,1-2H3,(H,19,29)(H,20,30)/b22-21+
InChIKeyONQRBROSEOOMBA-QURGRASLSA-N
MW430.42 g/mol
LogP-4.33
Rot. Bonds12

About 2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide (PubChem CID 88553786) has the molecular formula C16H26N6O8 and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
PubChem CID88553786
Molecular FormulaC16H26N6O8
Molecular Weight430.42 g/mol
Exact Mass430.18
IUPAC Name2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
SMILESCC(C#N)(/N=N/C(C)(C#N)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C16H26N6O8/c1-13(3-17,11(29)19-15(5-23,6-24)7-25)21-22-14(2,4-18)12(30)20-16(8-26,9-27)10-28/h23-28H,5-10H2,1-2H3,(H,19,29)(H,20,30)/b22-21+
InChIKeyONQRBROSEOOMBA-QURGRASLSA-N
XLogP-4.33
TPSA251.88 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500430.42
LogP ≤ 5-4.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The IUPAC name of 2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide (CID 88553786) is 2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.
What is the SMILES notation for 2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The canonical SMILES for 2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide is CC(C#N)(/N=N/C(C)(C#N)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO.
What is the InChIKey of 2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The InChIKey is ONQRBROSEOOMBA-QURGRASLSA-N. The full InChI is InChI=1S/C16H26N6O8/c1-13(3-17,11(29)19-15(5-23,6-24)7-25)21-22-14(2,4-18)12(30)20-16(8-26,9-27)10-28/h23-28H,5-10H2,1-2H3,(H,19,29)(H,20,30)/b22-21+.
What are the key properties of 2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide has a molecular weight of 430.42 g/mol, XLogP of -4.33, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide is sourced from PubChem (CID 88553786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).