5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide

C16H15Cl2N3O3 — CID 4796287

IUPAC5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2N3O3/c1-21(16(23)10-7-13(17)15(18)19-8-10)9-14(22)20-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyPDRVVHGWHFFLAY-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.11
Rot. Bonds5

About 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide

5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide (PubChem CID 4796287) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
PubChem CID4796287
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2N3O3/c1-21(16(23)10-7-13(17)15(18)19-8-10)9-14(22)20-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyPDRVVHGWHFFLAY-UHFFFAOYSA-N
XLogP3.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide (CID 4796287) is 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is PDRVVHGWHFFLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-21(16(23)10-7-13(17)15(18)19-8-10)9-14(22)20-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 368.22 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 4796287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).