CID 162381002

C16H20N5O3Si — CID 162381002

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)/t10-,16-/m1/s1
InChIKeyKQGVMVIWCNEFIN-QLJPJBMISA-N
MW358.45 g/mol
LogP-0.74
Rot. Bonds6

About CID 162381002

CID 162381002 (PubChem CID 162381002) has the molecular formula C16H20N5O3Si and a molecular weight of 358.45 g/mol.

Molecular Properties

Compound NameCID 162381002
PubChem CID162381002
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)/t10-,16-/m1/s1
InChIKeyKQGVMVIWCNEFIN-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 162381002?
The IUPAC name of CID 162381002 (CID 162381002) is not available.
What is the SMILES notation for CID 162381002?
The canonical SMILES for CID 162381002 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 162381002?
The InChIKey is KQGVMVIWCNEFIN-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)/t10-,16-/m1/s1.
What are the key properties of CID 162381002?
CID 162381002 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 162381002 is sourced from PubChem (CID 162381002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).