5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide

C12H14Cl2N2O2 — CID 82734080

IUPAC5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c1-7-10(3-4-18-7)16(2)12(17)8-5-9(13)11(14)15-6-8/h5-7,10H,3-4H2,1-2H3
InChIKeyFVLBYXBZCWYJHW-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.64
Rot. Bonds2

About 5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide

5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide (PubChem CID 82734080) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
PubChem CID82734080
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c1-7-10(3-4-18-7)16(2)12(17)8-5-9(13)11(14)15-6-8/h5-7,10H,3-4H2,1-2H3
InChIKeyFVLBYXBZCWYJHW-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-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-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide (CID 82734080) is 5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide is CC1OCCC1N(C)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
The InChIKey is FVLBYXBZCWYJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-7-10(3-4-18-7)16(2)12(17)8-5-9(13)11(14)15-6-8/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 82734080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).