N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide

C9H11ClN2O — CID 59843549

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C9H11ClN2O/c1-7(13)12(2)6-8-3-4-9(10)11-5-8/h3-5H,6H2,1-2H3
InChIKeyFFKDBDOYQUWIEU-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.71
Rot. Bonds2

About N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide

N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide (PubChem CID 59843549) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide
PubChem CID59843549
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C9H11ClN2O/c1-7(13)12(2)6-8-3-4-9(10)11-5-8/h3-5H,6H2,1-2H3
InChIKeyFFKDBDOYQUWIEU-UHFFFAOYSA-N
XLogP1.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(6-chloro-3-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-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide (CID 59843549) is N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide?
The InChIKey is FFKDBDOYQUWIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-7(13)12(2)6-8-3-4-9(10)11-5-8/h3-5H,6H2,1-2H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide?
N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide has a molecular weight of 198.65 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-methylacetamide is sourced from PubChem (CID 59843549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).