N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide

C14H9ClN4O4 — CID 8632179

IUPACN-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESN#Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2Cl)c1=O
InChIInChI=1S/C14H9ClN4O4/c15-11-3-1-2-4-12(11)17-13(20)8-18-7-10(19(22)23)5-9(6-16)14(18)21/h1-5,7H,8H2,(H,17,20)
InChIKeyPLNQPBKKOYHGLT-UHFFFAOYSA-N
MW332.70 g/mol
LogP1.92
Rot. Bonds4

About N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide

N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 8632179) has the molecular formula C14H9ClN4O4 and a molecular weight of 332.70 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID8632179
Molecular FormulaC14H9ClN4O4
Molecular Weight332.70 g/mol
Exact Mass332.03
IUPAC NameN-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESN#Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2Cl)c1=O
InChIInChI=1S/C14H9ClN4O4/c15-11-3-1-2-4-12(11)17-13(20)8-18-7-10(19(22)23)5-9(6-16)14(18)21/h1-5,7H,8H2,(H,17,20)
InChIKeyPLNQPBKKOYHGLT-UHFFFAOYSA-N
XLogP1.92
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.70
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467854
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8632294
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]acetamide
CID 8632461
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 8632452
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8632535
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632273
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide
CID 8632311
N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide
CID 55732995
2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
CID 84572307
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55402922
N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide
CID 688188
methyl 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxylate
CID 55561632

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide (CID 8632179) is N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide is N#Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2Cl)c1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is PLNQPBKKOYHGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O4/c15-11-3-1-2-4-12(11)17-13(20)8-18-7-10(19(22)23)5-9(6-16)14(18)21/h1-5,7H,8H2,(H,17,20).
What are the key properties of N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 332.70 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 8632179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).