N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

C14H11Cl2N3O2 — CID 5334016

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)ccc1=O
InChIInChI=1S/C14H11Cl2N3O2/c1-19-8-10(3-5-13(19)20)14(21)18-17-7-9-2-4-11(15)6-12(9)16/h2-8H,1H3,(H,18,21)/b17-7+
InChIKeyOFWVGNHJKZCEHU-REZTVBANSA-N
MW324.17 g/mol
LogP2.46
Rot. Bonds3

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 5334016) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID5334016
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)ccc1=O
InChIInChI=1S/C14H11Cl2N3O2/c1-19-8-10(3-5-13(19)20)14(21)18-17-7-9-2-4-11(15)6-12(9)16/h2-8H,1H3,(H,18,21)/b17-7+
InChIKeyOFWVGNHJKZCEHU-REZTVBANSA-N
XLogP2.46
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899830
N'-[(4-chlorophenyl)methylene]-2-cyano-3-(dimethylamino)acrylohydrazide
CID 9611590
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide
CID 5339213
Acetic acid, (2,4-dichlorobenzylidene)hydrazide
CID 9578577
Isobutyric acid, (2,4-dichlorobenzylidene)hydrazide
CID 9578578
N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 6871826
N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide
CID 44591451
(2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide
CID 46838953
1,6-Dihydro-6-oxo-3-pyridazinecarboxylic acid 2-[(2,4-dichlorophenyl)methylene]hydrazide
CID 947825
N-[(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2318394
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]prop-2-enamide
CID 9555215
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 5667496

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (CID 5334016) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)ccc1=O.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is OFWVGNHJKZCEHU-REZTVBANSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-19-8-10(3-5-13(19)20)14(21)18-17-7-9-2-4-11(15)6-12(9)16/h2-8H,1H3,(H,18,21)/b17-7+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 5334016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).