CID 162381627

C16H20N5O3Si+ — CID 162381627

IUPAC—
SMILESC#Cc1nn([C@@]2([Si+])C[C@H](COC)N(C(=O)C=C)C2)c(NC)c1C(N)=O
InChIInChI=1S/C16H20N5O3Si/c1-5-11-13(14(17)23)15(18-3)21(19-11)16(25)7-10(8-24-4)20(9-16)12(22)6-2/h1,6,10,18H,2,7-9H2,3-4H3,(H2,17,23)/q+1/t10-,16-/m1/s1
InChIKeyLERZDIUQPMIZDO-QLJPJBMISA-N
MW358.45 g/mol
LogP-0.74
Rot. Bonds6

About CID 162381627

CID 162381627 (PubChem CID 162381627) has the molecular formula C16H20N5O3Si+ and a molecular weight of 358.45 g/mol.

Molecular Properties

Compound NameCID 162381627
PubChem CID162381627
Molecular FormulaC16H20N5O3Si+
Molecular Weight358.45 g/mol
Exact Mass358.13
IUPAC Name—
SMILESC#Cc1nn([C@@]2([Si+])C[C@H](COC)N(C(=O)C=C)C2)c(NC)c1C(N)=O
InChIInChI=1S/C16H20N5O3Si/c1-5-11-13(14(17)23)15(18-3)21(19-11)16(25)7-10(8-24-4)20(9-16)12(22)6-2/h1,6,10,18H,2,7-9H2,3-4H3,(H2,17,23)/q+1/t10-,16-/m1/s1
InChIKeyLERZDIUQPMIZDO-QLJPJBMISA-N
XLogP-0.74
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162381627?
The IUPAC name of CID 162381627 (CID 162381627) is not available.
What is the SMILES notation for CID 162381627?
The canonical SMILES for CID 162381627 is C#Cc1nn([C@@]2([Si+])C[C@H](COC)N(C(=O)C=C)C2)c(NC)c1C(N)=O.
What is the InChIKey of CID 162381627?
The InChIKey is LERZDIUQPMIZDO-QLJPJBMISA-N. The full InChI is InChI=1S/C16H20N5O3Si/c1-5-11-13(14(17)23)15(18-3)21(19-11)16(25)7-10(8-24-4)20(9-16)12(22)6-2/h1,6,10,18H,2,7-9H2,3-4H3,(H2,17,23)/q+1/t10-,16-/m1/s1.
What are the key properties of CID 162381627?
CID 162381627 has a molecular weight of 358.45 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162381627 is sourced from PubChem (CID 162381627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).