N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide

C26H29N3O4 — CID 53340310

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccccc2)c2ccncc2)cc1)NO
InChIInChI=1S/C26H29N3O4/c30-24(29-33)10-6-1-2-7-17-28-25(31)20-11-13-22(14-12-20)26(32,21-8-4-3-5-9-21)23-15-18-27-19-16-23/h3-5,8-9,11-16,18-19,32-33H,1-2,6-7,10,17H2,(H,28,31)(H,29,30)
InChIKeyINWQLBSSJWYGDS-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.55
Rot. Bonds11

About N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide

N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide (PubChem CID 53340310) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide
PubChem CID53340310
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccccc2)c2ccncc2)cc1)NO
InChIInChI=1S/C26H29N3O4/c30-24(29-33)10-6-1-2-7-17-28-25(31)20-11-13-22(14-12-20)26(32,21-8-4-3-5-9-21)23-15-18-27-19-16-23/h3-5,8-9,11-16,18-19,32-33H,1-2,6-7,10,17H2,(H,28,31)(H,29,30)
InChIKeyINWQLBSSJWYGDS-UHFFFAOYSA-N
XLogP3.55
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-phenyl-pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide (CID 53340310) is N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide is O=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccccc2)c2ccncc2)cc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide?
The InChIKey is INWQLBSSJWYGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c30-24(29-33)10-6-1-2-7-17-28-25(31)20-11-13-22(14-12-20)26(32,21-8-4-3-5-9-21)23-15-18-27-19-16-23/h3-5,8-9,11-16,18-19,32-33H,1-2,6-7,10,17H2,(H,28,31)(H,29,30).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.55, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-4-(hydroxy-phenyl-pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 53340310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).