3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide

C12H14Cl2N2O2 — CID 113346386

IUPAC3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide
SMILESCC1CC(NC(=O)c2nc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C12H14Cl2N2O2/c1-7-6-8(4-5-18-7)15-12(17)11-9(13)2-3-10(14)16-11/h2-3,7-8H,4-6H2,1H3,(H,15,17)
InChIKeyWEIODMCFUBGNPL-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.69
Rot. Bonds2

About 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide

3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide (PubChem CID 113346386) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide
PubChem CID113346386
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide
SMILESCC1CC(NC(=O)c2nc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C12H14Cl2N2O2/c1-7-6-8(4-5-18-7)15-12(17)11-9(13)2-3-10(14)16-11/h2-3,7-8H,4-6H2,1H3,(H,15,17)
InChIKeyWEIODMCFUBGNPL-UHFFFAOYSA-N
XLogP2.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-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

2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide
CID 106551626
3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide
CID 54898284
6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 114540527
3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 104693580
3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 51255447
3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103767084
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 60693528
3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 60616997
3,6-dichloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104956936
3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 114629332

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide (CID 113346386) is 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide is CC1CC(NC(=O)c2nc(Cl)ccc2Cl)CCO1.
What is the InChIKey of 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide?
The InChIKey is WEIODMCFUBGNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-7-6-8(4-5-18-7)15-12(17)11-9(13)2-3-10(14)16-11/h2-3,7-8H,4-6H2,1H3,(H,15,17).
What are the key properties of 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 113346386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).