N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide

C14H11ClN4O5 — CID 108520495

IUPACN-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H11ClN4O5/c1-24-11-5-4-8(19(22)23)7-10(11)18-14(21)13(20)17-9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,20)(H,18,21)
InChIKeyXJUMQKLQRCEYGC-UHFFFAOYSA-N
MW350.72 g/mol
LogP2.23
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide

N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide (PubChem CID 108520495) has the molecular formula C14H11ClN4O5 and a molecular weight of 350.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
PubChem CID108520495
Molecular FormulaC14H11ClN4O5
Molecular Weight350.72 g/mol
Exact Mass350.04
IUPAC NameN-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H11ClN4O5/c1-24-11-5-4-8(19(22)23)7-10(11)18-14(21)13(20)17-9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,20)(H,18,21)
InChIKeyXJUMQKLQRCEYGC-UHFFFAOYSA-N
XLogP2.23
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.72
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
CID 108513126
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
CID 3430269
N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108515064
N-(2-methoxy-5-nitrophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18073888
N-(2-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
1-(2-iodophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108869061
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108513596
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide (CID 108520495) is N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide?
The InChIKey is XJUMQKLQRCEYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O5/c1-24-11-5-4-8(19(22)23)7-10(11)18-14(21)13(20)17-9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide?
N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide has a molecular weight of 350.72 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide is sourced from PubChem (CID 108520495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).