N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide

C14H11ClN4O4 — CID 108513496

IUPACN'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C14H11ClN4O4/c1-8-3-2-4-12(16-8)18-14(21)13(20)17-11-7-9(19(22)23)5-6-10(11)15/h2-7H,1H3,(H,17,20)(H,16,18,21)
InChIKeyORQRVXNSNYOQSO-UHFFFAOYSA-N
MW334.72 g/mol
LogP2.53
Rot. Bonds3

About N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide

N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide (PubChem CID 108513496) has the molecular formula C14H11ClN4O4 and a molecular weight of 334.72 g/mol. Its IUPAC name is N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide
PubChem CID108513496
Molecular FormulaC14H11ClN4O4
Molecular Weight334.72 g/mol
Exact Mass334.05
IUPAC NameN'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C14H11ClN4O4/c1-8-3-2-4-12(16-8)18-14(21)13(20)17-11-7-9(19(22)23)5-6-10(11)15/h2-7H,1H3,(H,17,20)(H,16,18,21)
InChIKeyORQRVXNSNYOQSO-UHFFFAOYSA-N
XLogP2.53
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 52.53
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

N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108513596
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
CID 108513447
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108513541
3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
CID 82780242
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
N-(3-chloro-2-methylphenyl)-N'-[(E)-[4-(2-chloro-5-nitroanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 17385850
N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508659

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide?
The IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide (CID 108513496) is N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide is Cc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1.
What is the InChIKey of N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide?
The InChIKey is ORQRVXNSNYOQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O4/c1-8-3-2-4-12(16-8)18-14(21)13(20)17-11-7-9(19(22)23)5-6-10(11)15/h2-7H,1H3,(H,17,20)(H,16,18,21).
What are the key properties of N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide?
N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide has a molecular weight of 334.72 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108513496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).