N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide

C26H30N4O4 — CID 53340425

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide
SMILESCN(CCCCCCC(=O)NO)C(=O)c1ccc(C(O)(c2ccccn2)c2ccccn2)cc1
InChIInChI=1S/C26H30N4O4/c1-30(19-9-3-2-4-12-24(31)29-34)25(32)20-13-15-21(16-14-20)26(33,22-10-5-7-17-27-22)23-11-6-8-18-28-23/h5-8,10-11,13-18,33-34H,2-4,9,12,19H2,1H3,(H,29,31)
InChIKeyLVDZLSZJSTXWKZ-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.29
Rot. Bonds11

About N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide

N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide (PubChem CID 53340425) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide
PubChem CID53340425
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide
SMILESCN(CCCCCCC(=O)NO)C(=O)c1ccc(C(O)(c2ccccn2)c2ccccn2)cc1
InChIInChI=1S/C26H30N4O4/c1-30(19-9-3-2-4-12-24(31)29-34)25(32)20-13-15-21(16-14-20)26(33,22-10-5-7-17-27-22)23-11-6-8-18-28-23/h5-8,10-11,13-18,33-34H,2-4,9,12,19H2,1H3,(H,29,31)
InChIKeyLVDZLSZJSTXWKZ-UHFFFAOYSA-N
XLogP3.29
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.29
H-Bond Donors ≤ 53
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]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide (CID 53340425) is N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide is CN(CCCCCCC(=O)NO)C(=O)c1ccc(C(O)(c2ccccn2)c2ccccn2)cc1.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide?
The InChIKey is LVDZLSZJSTXWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-30(19-9-3-2-4-12-24(31)29-34)25(32)20-13-15-21(16-14-20)26(33,22-10-5-7-17-27-22)23-11-6-8-18-28-23/h5-8,10-11,13-18,33-34H,2-4,9,12,19H2,1H3,(H,29,31).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide has a molecular weight of 462.55 g/mol, XLogP of 3.29, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-4-[hydroxy(dipyridin-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 53340425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).