N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide

C16H16N4O3 — CID 7584760

IUPACN'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccncc2)c1
InChIInChI=1S/C16H16N4O3/c1-11(21)19-13-3-2-4-14(9-13)20-16(23)15(22)18-10-12-5-7-17-8-6-12/h2-9H,10H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyZWBKBGIZGFLTNJ-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.29
Rot. Bonds4

About N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide

N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 7584760) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID7584760
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccncc2)c1
InChIInChI=1S/C16H16N4O3/c1-11(21)19-13-3-2-4-14(9-13)20-16(23)15(22)18-10-12-5-7-17-8-6-12/h2-9H,10H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyZWBKBGIZGFLTNJ-UHFFFAOYSA-N
XLogP1.29
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730
N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide
CID 86995360
N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108985107
N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518293
N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 47224625
N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
CID 43316047
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947860
N-[3-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860975
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
N'-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 7586339

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 7584760) is N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccncc2)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is ZWBKBGIZGFLTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-11(21)19-13-3-2-4-14(9-13)20-16(23)15(22)18-10-12-5-7-17-8-6-12/h2-9H,10H2,1H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 312.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 7584760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).