N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide

C17H19N3O2 — CID 108500421

IUPACN'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C17H19N3O2/c1-12(2)14-7-3-4-8-15(14)20-17(22)16(21)19-11-13-6-5-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDXRBQPBRJGKYMH-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.46
Rot. Bonds4

About N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide

N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 108500421) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide
PubChem CID108500421
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C17H19N3O2/c1-12(2)14-7-3-4-8-15(14)20-17(22)16(21)19-11-13-6-5-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDXRBQPBRJGKYMH-UHFFFAOYSA-N
XLogP2.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.46
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-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide
CID 51815485
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94016159
N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506700
N'-(2-bromo-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 75435023
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023591

Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide (CID 108500421) is N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide is CC(C)c1ccccc1NC(=O)C(=O)NCc1cccnc1.
What is the InChIKey of N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is DXRBQPBRJGKYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(2)14-7-3-4-8-15(14)20-17(22)16(21)19-11-13-6-5-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 297.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 108500421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).