N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide

C13H9ClN4O4 — CID 108513126

IUPACN'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H9ClN4O4/c14-11-10(2-1-7-15-11)17-13(20)12(19)16-8-3-5-9(6-4-8)18(21)22/h1-7H,(H,16,19)(H,17,20)
InChIKeyUEKDPBWVBMCMDC-UHFFFAOYSA-N
MW320.69 g/mol
LogP2.22
Rot. Bonds3

About N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide

N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide (PubChem CID 108513126) has the molecular formula C13H9ClN4O4 and a molecular weight of 320.69 g/mol. Its IUPAC name is N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
PubChem CID108513126
Molecular FormulaC13H9ClN4O4
Molecular Weight320.69 g/mol
Exact Mass320.03
IUPAC NameN'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H9ClN4O4/c14-11-10(2-1-7-15-11)17-13(20)12(19)16-8-3-5-9(6-4-8)18(21)22/h1-7H,(H,16,19)(H,17,20)
InChIKeyUEKDPBWVBMCMDC-UHFFFAOYSA-N
XLogP2.22
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108520495
N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108502754
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2890332
N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108513105
4-chloro-N-(2-chloro-3-pyridinyl)-3,5-dinitrobenzamide
CID 4549997
N-(2-chloro-3-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 903911
N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide
CID 177046941
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967
N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108513596

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide (CID 108513126) is N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide?
The InChIKey is UEKDPBWVBMCMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O4/c14-11-10(2-1-7-15-11)17-13(20)12(19)16-8-3-5-9(6-4-8)18(21)22/h1-7H,(H,16,19)(H,17,20).
What are the key properties of N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide?
N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide has a molecular weight of 320.69 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 108513126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).