N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide

C23H23N3O2 — CID 156889599

IUPACN-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(CN2CCCCc3ccc(-c4ccncc4)cc32)cc1
InChIInChI=1S/C23H23N3O2/c27-23(25-28)20-6-4-17(5-7-20)16-26-14-2-1-3-19-8-9-21(15-22(19)26)18-10-12-24-13-11-18/h4-13,15,28H,1-3,14,16H2,(H,25,27)
InChIKeyWHZLQJWGXIVXAA-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.21
Rot. Bonds4

About N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide

N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide (PubChem CID 156889599) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
PubChem CID156889599
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(CN2CCCCc3ccc(-c4ccncc4)cc32)cc1
InChIInChI=1S/C23H23N3O2/c27-23(25-28)20-6-4-17(5-7-20)16-26-14-2-1-3-19-8-9-21(15-22(19)26)18-10-12-24-13-11-18/h4-13,15,28H,1-3,14,16H2,(H,25,27)
InChIKeyWHZLQJWGXIVXAA-UHFFFAOYSA-N
XLogP4.21
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889610
4-[(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 156889603
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzoic acid
CID 168861218
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
8-bromo-1-[[4-(1-methoxyethenyl)phenyl]methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 166803449
1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 123558002
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 99950072
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889592
N-hydroxy-4-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
CID 50991199
N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 155967045

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide (CID 156889599) is N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide is O=C(NO)c1ccc(CN2CCCCc3ccc(-c4ccncc4)cc32)cc1.
What is the InChIKey of N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
The InChIKey is WHZLQJWGXIVXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-23(25-28)20-6-4-17(5-7-20)16-26-14-2-1-3-19-8-9-21(15-22(19)26)18-10-12-24-13-11-18/h4-13,15,28H,1-3,14,16H2,(H,25,27).
What are the key properties of N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide?
N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(8-pyridin-4-yl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide is sourced from PubChem (CID 156889599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).