N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide

C17H18N4O4 — CID 89413587

IUPACN-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C17H18N4O4/c1-18-15(22)14(16(23)20-25)21(2)17(24)12-8-9-13(19-10-12)11-6-4-3-5-7-11/h3-10,14,25H,1-2H3,(H,18,22)(H,20,23)
InChIKeyIEZNGHFFIMXPHR-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.44
Rot. Bonds5

About N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide

N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide (PubChem CID 89413587) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide
PubChem CID89413587
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C17H18N4O4/c1-18-15(22)14(16(23)20-25)21(2)17(24)12-8-9-13(19-10-12)11-6-4-3-5-7-11/h3-10,14,25H,1-2H3,(H,18,22)(H,20,23)
InChIKeyIEZNGHFFIMXPHR-UHFFFAOYSA-N
XLogP0.44
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-hydroxy-2-[[4-(6-methoxy-3-pyridinyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89412972
N-hydroxy-2-[[4-(3-hydroxyphenyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413211
2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413067
N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide
CID 89413611
N-hydroxy-2-[(2-hydroxy-4-phenylbenzoyl)-methylamino]-N'-methylpropanediamide
CID 89413250
N-hydroxy-N'-methyl-2-[methyl-[4-(3-phenylprop-2-ynoxy)benzoyl]amino]propanediamide
CID 89413379
N-benzyl-N'-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]propanediamide
CID 89412989
N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide
CID 89413299
2-[[4-(3-fluoro-4-pyridinyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413336
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide
CID 89413642
N-hydroxy-2-[[4-[2-(6-methoxy-3-pyridinyl)ethynyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413478
2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide?
The IUPAC name of N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide (CID 89413587) is N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide.
What is the SMILES notation for N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide?
The canonical SMILES for N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide?
The InChIKey is IEZNGHFFIMXPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-18-15(22)14(16(23)20-25)21(2)17(24)12-8-9-13(19-10-12)11-6-4-3-5-7-11/h3-10,14,25H,1-2H3,(H,18,22)(H,20,23).
What are the key properties of N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide?
N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide has a molecular weight of 342.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide is sourced from PubChem (CID 89413587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).