N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide

C14H12N4O4 — CID 2890332

IUPACN'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O4/c19-13(16-9-11-3-1-2-8-15-11)14(20)17-10-4-6-12(7-5-10)18(21)22/h1-8H,9H2,(H,16,19)(H,17,20)
InChIKeyIHPSKSNATQQUIG-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.24
Rot. Bonds4

About N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 2890332) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID2890332
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC NameN'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O4/c19-13(16-9-11-3-1-2-8-15-11)14(20)17-10-4-6-12(7-5-10)18(21)22/h1-8H,9H2,(H,16,19)(H,17,20)
InChIKeyIHPSKSNATQQUIG-UHFFFAOYSA-N
XLogP1.24
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-nitroanilino)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 51264541
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
CID 108513126
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
CID 2889588
2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 9206110
methyl 3-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 108985074
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
2-[(4-nitrophenyl)methyl]-1-prop-2-enyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969695
N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide
CID 166445054

Frequently Asked Questions

What is the IUPAC name of N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide (CID 2890332) is N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is IHPSKSNATQQUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c19-13(16-9-11-3-1-2-8-15-11)14(20)17-10-4-6-12(7-5-10)18(21)22/h1-8H,9H2,(H,16,19)(H,17,20).
What are the key properties of N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 300.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 2890332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).