N-hydroxy-7-(7H-purin-6-ylamino)heptanamide

C12H18N6O2 — CID 127042095

IUPACN-hydroxy-7-(7H-purin-6-ylamino)heptanamide
SMILESO=C(CCCCCCNc1ncnc2nc[nH]c12)NO
InChIInChI=1S/C12H18N6O2/c19-9(18-20)5-3-1-2-4-6-13-11-10-12(15-7-14-10)17-8-16-11/h7-8,20H,1-6H2,(H,18,19)(H2,13,14,15,16,17)
InChIKeyYCYCWCRPDFVIPH-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.22
Rot. Bonds8

About N-hydroxy-7-(7H-purin-6-ylamino)heptanamide

N-hydroxy-7-(7H-purin-6-ylamino)heptanamide (PubChem CID 127042095) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-hydroxy-7-(7H-purin-6-ylamino)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(7H-purin-6-ylamino)heptanamide
PubChem CID127042095
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-hydroxy-7-(7H-purin-6-ylamino)heptanamide
SMILESO=C(CCCCCCNc1ncnc2nc[nH]c12)NO
InChIInChI=1S/C12H18N6O2/c19-9(18-20)5-3-1-2-4-6-13-11-10-12(15-7-14-10)17-8-16-11/h7-8,20H,1-6H2,(H,18,19)(H2,13,14,15,16,17)
InChIKeyYCYCWCRPDFVIPH-UHFFFAOYSA-N
XLogP1.22
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(7H-purin-6-ylamino)heptanamide?
The IUPAC name of N-hydroxy-7-(7H-purin-6-ylamino)heptanamide (CID 127042095) is N-hydroxy-7-(7H-purin-6-ylamino)heptanamide.
What is the SMILES notation for N-hydroxy-7-(7H-purin-6-ylamino)heptanamide?
The canonical SMILES for N-hydroxy-7-(7H-purin-6-ylamino)heptanamide is O=C(CCCCCCNc1ncnc2nc[nH]c12)NO.
What is the InChIKey of N-hydroxy-7-(7H-purin-6-ylamino)heptanamide?
The InChIKey is YCYCWCRPDFVIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c19-9(18-20)5-3-1-2-4-6-13-11-10-12(15-7-14-10)17-8-16-11/h7-8,20H,1-6H2,(H,18,19)(H2,13,14,15,16,17).
What are the key properties of N-hydroxy-7-(7H-purin-6-ylamino)heptanamide?
N-hydroxy-7-(7H-purin-6-ylamino)heptanamide has a molecular weight of 278.32 g/mol, XLogP of 1.22, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(7H-purin-6-ylamino)heptanamide is sourced from PubChem (CID 127042095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).