N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide

C16H17N3O2 — CID 108984681

IUPACN'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H17N3O2/c1-12-4-2-5-13(8-12)10-18-15(20)16(21)19-11-14-6-3-7-17-9-14/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyABQYOPHJUCXFMT-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.32
Rot. Bonds4

About N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide

N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 108984681) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID108984681
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H17N3O2/c1-12-4-2-5-13(8-12)10-18-15(20)16(21)19-11-14-6-3-7-17-9-14/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyABQYOPHJUCXFMT-UHFFFAOYSA-N
XLogP1.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506700
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
N'-(2-bromo-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 75435023
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide (CID 108984681) is N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide is Cc1cccc(CNC(=O)C(=O)NCc2cccnc2)c1.
What is the InChIKey of N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is ABQYOPHJUCXFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-4-2-5-13(8-12)10-18-15(20)16(21)19-11-14-6-3-7-17-9-14/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 108984681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).