N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide

C9H10Cl2N2O — CID 142740811

IUPACN-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-6(14)13(2)5-7-3-8(10)12-9(11)4-7/h3-4H,5H2,1-2H3
InChIKeyDQKRRPIMGGKJLN-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.37
Rot. Bonds2

About N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide

N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide (PubChem CID 142740811) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide
PubChem CID142740811
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC NameN-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-6(14)13(2)5-7-3-8(10)12-9(11)4-7/h3-4H,5H2,1-2H3
InChIKeyDQKRRPIMGGKJLN-UHFFFAOYSA-N
XLogP2.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide 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 N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide (CID 142740811) is N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide?
The InChIKey is DQKRRPIMGGKJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-6(14)13(2)5-7-3-8(10)12-9(11)4-7/h3-4H,5H2,1-2H3.
What are the key properties of N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide?
N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide has a molecular weight of 233.10 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-4-pyridinyl)methyl]-N-methylacetamide is sourced from PubChem (CID 142740811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).