N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide

C15H15N3O3 — CID 108506700

IUPACN'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C15H15N3O3/c1-10-4-5-13(19)12(7-10)18-15(21)14(20)17-9-11-3-2-6-16-8-11/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyXBQYDJLFTNFMNW-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.35
Rot. Bonds3

About N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide

N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 108506700) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
PubChem CID108506700
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C15H15N3O3/c1-10-4-5-13(19)12(7-10)18-15(21)14(20)17-9-11-3-2-6-16-8-11/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyXBQYDJLFTNFMNW-UHFFFAOYSA-N
XLogP1.35
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
N'-(2-bromo-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 75435023
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108500421
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520686
N-(2-hydroxy-5-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487929
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
N'-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide (CID 108506700) is N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide is Cc1ccc(O)c(NC(=O)C(=O)NCc2cccnc2)c1.
What is the InChIKey of N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is XBQYDJLFTNFMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-4-5-13(19)12(7-10)18-15(21)14(20)17-9-11-3-2-6-16-8-11/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 285.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 108506700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).