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

C12H14Cl2N2O2 — CID 113346380

IUPAC2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
SMILESCC1CC(NC(=O)c2cc(Cl)nc(Cl)c2)CCO1
InChIInChI=1S/C12H14Cl2N2O2/c1-7-4-9(2-3-18-7)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,2-4H2,1H3,(H,15,17)
InChIKeyLXWCADVTKGJZTF-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.69
Rot. Bonds2

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

2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide (PubChem CID 113346380) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
PubChem CID113346380
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
SMILESCC1CC(NC(=O)c2cc(Cl)nc(Cl)c2)CCO1
InChIInChI=1S/C12H14Cl2N2O2/c1-7-4-9(2-3-18-7)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,2-4H2,1H3,(H,15,17)
InChIKeyLXWCADVTKGJZTF-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'}

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Related Compounds

3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide
CID 106551626
3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide
CID 113346386
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
CID 114108164
2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide
CID 103888208

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide (CID 113346380) is 2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide is CC1CC(NC(=O)c2cc(Cl)nc(Cl)c2)CCO1.
What is the InChIKey of 2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide?
The InChIKey is LXWCADVTKGJZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-7-4-9(2-3-18-7)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,2-4H2,1H3,(H,15,17).
What are the key properties of 2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide?
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-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 2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113346380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).