N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide

C25H28N4O4 — CID 58537027

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide
SMILESO=C(CCCCCCNC(=O)c1cccc(C(O)(c2ccccn2)c2ccccn2)c1)NO
InChIInChI=1S/C25H28N4O4/c30-23(29-33)14-3-1-2-6-17-28-24(31)19-10-9-11-20(18-19)25(32,21-12-4-7-15-26-21)22-13-5-8-16-27-22/h4-5,7-13,15-16,18,32-33H,1-3,6,14,17H2,(H,28,31)(H,29,30)
InChIKeyZTRSXNAGKPRTCP-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.95
Rot. Bonds11

About N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide

N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide (PubChem CID 58537027) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide
PubChem CID58537027
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide
SMILESO=C(CCCCCCNC(=O)c1cccc(C(O)(c2ccccn2)c2ccccn2)c1)NO
InChIInChI=1S/C25H28N4O4/c30-23(29-33)14-3-1-2-6-17-28-24(31)19-10-9-11-20(18-19)25(32,21-12-4-7-15-26-21)22-13-5-8-16-27-22/h4-5,7-13,15-16,18,32-33H,1-3,6,14,17H2,(H,28,31)(H,29,30)
InChIKeyZTRSXNAGKPRTCP-UHFFFAOYSA-N
XLogP2.95
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.95
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-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide (CID 58537027) is N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide is O=C(CCCCCCNC(=O)c1cccc(C(O)(c2ccccn2)c2ccccn2)c1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide?
The InChIKey is ZTRSXNAGKPRTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c30-23(29-33)14-3-1-2-6-17-28-24(31)19-10-9-11-20(18-19)25(32,21-12-4-7-15-26-21)22-13-5-8-16-27-22/h4-5,7-13,15-16,18,32-33H,1-3,6,14,17H2,(H,28,31)(H,29,30).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 2.95, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-3-[hydroxy(dipyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 58537027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).