N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide

C16H25N7O3 — CID 127025887

IUPACN-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide
SMILESO=C(CCCCCCNc1nc(N2CCOCC2)nc2nc[nH]c12)NO
InChIInChI=1S/C16H25N7O3/c24-12(22-25)5-3-1-2-4-6-17-14-13-15(19-11-18-13)21-16(20-14)23-7-9-26-10-8-23/h11,25H,1-10H2,(H,22,24)(H2,17,18,19,20,21)
InChIKeyOXDCGULSMURRAW-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.06
Rot. Bonds9

About N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide

N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide (PubChem CID 127025887) has the molecular formula C16H25N7O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide
PubChem CID127025887
Molecular FormulaC16H25N7O3
Molecular Weight363.42 g/mol
Exact Mass363.20
IUPAC NameN-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide
SMILESO=C(CCCCCCNc1nc(N2CCOCC2)nc2nc[nH]c12)NO
InChIInChI=1S/C16H25N7O3/c24-12(22-25)5-3-1-2-4-6-17-14-13-15(19-11-18-13)21-16(20-14)23-7-9-26-10-8-23/h11,25H,1-10H2,(H,22,24)(H2,17,18,19,20,21)
InChIKeyOXDCGULSMURRAW-UHFFFAOYSA-N
XLogP1.06
TPSA128.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide?
The IUPAC name of N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide (CID 127025887) is N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide?
The canonical SMILES for N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide is O=C(CCCCCCNc1nc(N2CCOCC2)nc2nc[nH]c12)NO.
What is the InChIKey of N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide?
The InChIKey is OXDCGULSMURRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O3/c24-12(22-25)5-3-1-2-4-6-17-14-13-15(19-11-18-13)21-16(20-14)23-7-9-26-10-8-23/h11,25H,1-10H2,(H,22,24)(H2,17,18,19,20,21).
What are the key properties of N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide?
N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide has a molecular weight of 363.42 g/mol, XLogP of 1.06, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide is sourced from PubChem (CID 127025887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).