N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide

C32H33N3O4 — CID 147892037

IUPACN-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide
SMILESO=C(CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)nc1)NO
InChIInChI=1S/C32H33N3O4/c36-31(34-38)18-8-3-11-21-39-30-17-10-9-16-28(30)24-35(23-25-12-4-1-5-13-25)32(37)27-19-20-29(33-22-27)26-14-6-2-7-15-26/h1-2,4-7,9-10,12-17,19-20,22,38H,3,8,11,18,21,23-24H2,(H,34,36)
InChIKeyICLYSXIGJWOYCE-UHFFFAOYSA-N
MW523.63 g/mol
LogP6.04
Rot. Bonds13

About N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide

N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide (PubChem CID 147892037) has the molecular formula C32H33N3O4 and a molecular weight of 523.63 g/mol. Its IUPAC name is N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide
PubChem CID147892037
Molecular FormulaC32H33N3O4
Molecular Weight523.63 g/mol
Exact Mass523.25
IUPAC NameN-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide
SMILESO=C(CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)nc1)NO
InChIInChI=1S/C32H33N3O4/c36-31(34-38)18-8-3-11-21-39-30-17-10-9-16-28(30)24-35(23-25-12-4-1-5-13-25)32(37)27-19-20-29(33-22-27)26-14-6-2-7-15-26/h1-2,4-7,9-10,12-17,19-20,22,38H,3,8,11,18,21,23-24H2,(H,34,36)
InChIKeyICLYSXIGJWOYCE-UHFFFAOYSA-N
XLogP6.04
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.63
LogP ≤ 56.04
H-Bond Donors ≤ 52
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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Related Compounds

N-[dideuterio(phenyl)methyl]-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-4-(1H-pyrazol-4-yl)benzamide
CID 121270741
N-[dideuterio(phenyl)methyl]-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide
CID 140890704
N-benzyl-N-[deuterio-[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide
CID 121270438
N-[dideuterio(phenyl)methyl]-4-(furan-2-yl)-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]benzamide
CID 121270600
N-[deuterio(phenyl)methyl]-N-[[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-phenylbenzamide
CID 157202407
6-[2-[[benzyl-(4-phenylbenzoyl)amino]-deuteriomethyl]phenoxy]hexanoic acid
CID 121270940
N,N-dibenzyl-4-[2-(hydroxyamino)-2-oxoethyl]benzamide
CID 71519573
N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-(furan-3-yl)benzamide
CID 157080664
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
6-[2-[[but-2-ynyl-[6-(furan-2-yl)pyridine-3-carbonyl]amino]-deuteriomethyl]phenoxy]hexanoic acid
CID 121270555
6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
CID 86281167
6-[2-[[(1,1-dideuterio-2-pyridin-2-ylethyl)-(4-thiophen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
CID 121270636

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide (CID 147892037) is N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide is O=C(CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)nc1)NO.
What is the InChIKey of N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is ICLYSXIGJWOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O4/c36-31(34-38)18-8-3-11-21-39-30-17-10-9-16-28(30)24-35(23-25-12-4-1-5-13-25)32(37)27-19-20-29(33-22-27)26-14-6-2-7-15-26/h1-2,4-7,9-10,12-17,19-20,22,38H,3,8,11,18,21,23-24H2,(H,34,36).
What are the key properties of N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide?
N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 523.63 g/mol, XLogP of 6.04, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[2-[6-(hydroxyamino)-6-oxohexoxy]phenyl]methyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 147892037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).