CID 59482524

C22H41N9O2 — CID 59482524

IUPAC—
SMILESCNNc1nc(NC2CC(C)(C)N([O])C(C)(C)C2)nc(NC2CC(C)(C)N([O])C(C)(C)C2)n1
InChIInChI=1S/C22H41N9O2/c1-19(2)10-14(11-20(3,4)30(19)32)24-16-26-17(28-18(27-16)29-23-9)25-15-12-21(5,6)31(33)22(7,8)13-15/h14-15,23H,10-13H2,1-9H3,(H3,24,25,26,27,28,29)
InChIKeyUANQGWVFKSLQAJ-UHFFFAOYSA-N
MW463.63 g/mol
LogP2.98
Rot. Bonds6

About CID 59482524

CID 59482524 (PubChem CID 59482524) has the molecular formula C22H41N9O2 and a molecular weight of 463.63 g/mol.

Molecular Properties

Compound NameCID 59482524
PubChem CID59482524
Molecular FormulaC22H41N9O2
Molecular Weight463.63 g/mol
Exact Mass463.34
IUPAC Name—
SMILESCNNc1nc(NC2CC(C)(C)N([O])C(C)(C)C2)nc(NC2CC(C)(C)N([O])C(C)(C)C2)n1
InChIInChI=1S/C22H41N9O2/c1-19(2)10-14(11-20(3,4)30(19)32)24-16-26-17(28-18(27-16)29-23-9)25-15-12-21(5,6)31(33)22(7,8)13-15/h14-15,23H,10-13H2,1-9H3,(H3,24,25,26,27,28,29)
InChIKeyUANQGWVFKSLQAJ-UHFFFAOYSA-N
XLogP2.98
TPSA133.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59482524?
The IUPAC name of CID 59482524 (CID 59482524) is not available.
What is the SMILES notation for CID 59482524?
The canonical SMILES for CID 59482524 is CNNc1nc(NC2CC(C)(C)N([O])C(C)(C)C2)nc(NC2CC(C)(C)N([O])C(C)(C)C2)n1.
What is the InChIKey of CID 59482524?
The InChIKey is UANQGWVFKSLQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N9O2/c1-19(2)10-14(11-20(3,4)30(19)32)24-16-26-17(28-18(27-16)29-23-9)25-15-12-21(5,6)31(33)22(7,8)13-15/h14-15,23H,10-13H2,1-9H3,(H3,24,25,26,27,28,29).
What are the key properties of CID 59482524?
CID 59482524 has a molecular weight of 463.63 g/mol, XLogP of 2.98, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59482524 is sourced from PubChem (CID 59482524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).