N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide

C21H27N7O4 — CID 118366964

IUPACN-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)NO)c3n2)cn1
InChIInChI=1S/C21H27N7O4/c1-31-17-7-6-15(13-22-17)19-24-20(27-9-11-32-12-10-27)18-21(25-19)28(14-23-18)8-4-2-3-5-16(29)26-30/h6-7,13-14,30H,2-5,8-12H2,1H3,(H,26,29)
InChIKeyHUZZHYFTEZHJGZ-UHFFFAOYSA-N
MW441.49 g/mol
LogP1.80
Rot. Bonds9

About N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide

N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide (PubChem CID 118366964) has the molecular formula C21H27N7O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide
PubChem CID118366964
Molecular FormulaC21H27N7O4
Molecular Weight441.49 g/mol
Exact Mass441.21
IUPAC NameN-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)NO)c3n2)cn1
InChIInChI=1S/C21H27N7O4/c1-31-17-7-6-15(13-22-17)19-24-20(27-9-11-32-12-10-27)18-21(25-19)28(14-23-18)8-4-2-3-5-16(29)26-30/h6-7,13-14,30H,2-5,8-12H2,1H3,(H,26,29)
InChIKeyHUZZHYFTEZHJGZ-UHFFFAOYSA-N
XLogP1.80
TPSA127.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide?
The IUPAC name of N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide (CID 118366964) is N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide.
What is the SMILES notation for N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide?
The canonical SMILES for N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide is COc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)NO)c3n2)cn1.
What is the InChIKey of N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide?
The InChIKey is HUZZHYFTEZHJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O4/c1-31-17-7-6-15(13-22-17)19-24-20(27-9-11-32-12-10-27)18-21(25-19)28(14-23-18)8-4-2-3-5-16(29)26-30/h6-7,13-14,30H,2-5,8-12H2,1H3,(H,26,29).
What are the key properties of N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide?
N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide has a molecular weight of 441.49 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide is sourced from PubChem (CID 118366964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).