N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide

C22H29N7O4 — CID 118366993

IUPACN-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1
InChIInChI=1S/C22H29N7O4/c1-32-18-8-7-16(14-23-18)20-25-21(28-10-12-33-13-11-28)19-22(26-20)29(15-24-19)9-5-3-2-4-6-17(30)27-31/h7-8,14-15,31H,2-6,9-13H2,1H3,(H,27,30)
InChIKeyULMIGGMIKBGPOR-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.19
Rot. Bonds10

About N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide

N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide (PubChem CID 118366993) has the molecular formula C22H29N7O4 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide
PubChem CID118366993
Molecular FormulaC22H29N7O4
Molecular Weight455.52 g/mol
Exact Mass455.23
IUPAC NameN-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1
InChIInChI=1S/C22H29N7O4/c1-32-18-8-7-16(14-23-18)20-25-21(28-10-12-33-13-11-28)19-22(26-20)29(15-24-19)9-5-3-2-4-6-17(30)27-31/h7-8,14-15,31H,2-6,9-13H2,1H3,(H,27,30)
InChIKeyULMIGGMIKBGPOR-UHFFFAOYSA-N
XLogP2.19
TPSA127.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.19
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-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide (CID 118366993) is N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide is COc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1.
What is the InChIKey of N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide?
The InChIKey is ULMIGGMIKBGPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O4/c1-32-18-8-7-16(14-23-18)20-25-21(28-10-12-33-13-11-28)19-22(26-20)29(15-24-19)9-5-3-2-4-6-17(30)27-31/h7-8,14-15,31H,2-6,9-13H2,1H3,(H,27,30).
What are the key properties of N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide?
N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide has a molecular weight of 455.52 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide is sourced from PubChem (CID 118366993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).