N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide

C18H21N3O2 — CID 86919838

IUPACN'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C18H21N3O2/c1-18(2,3)14-9-4-5-10-15(14)21-17(23)16(22)20-12-13-8-6-7-11-19-13/h4-11H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFTLKDLRRZZJOFC-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.63
Rot. Bonds3

About N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 86919838) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID86919838
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C18H21N3O2/c1-18(2,3)14-9-4-5-10-15(14)21-17(23)16(22)20-12-13-8-6-7-11-19-13/h4-11H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFTLKDLRRZZJOFC-UHFFFAOYSA-N
XLogP2.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.63
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

2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999257
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371
ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 108501782
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
N'-(2-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518419
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370893
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide (CID 86919838) is N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide is CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is FTLKDLRRZZJOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(2,3)14-9-4-5-10-15(14)21-17(23)16(22)20-12-13-8-6-7-11-19-13/h4-11H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 311.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 86919838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).