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

C13H18Cl2N2O — CID 65038933

IUPAC2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-4-13(5-2,6-3)17-12(18)9-7-10(14)16-11(15)8-9/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKeyZMMDKKXBSRZRTE-UHFFFAOYSA-N
MW289.21 g/mol
LogP4.09
Rot. Bonds5

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

2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide (PubChem CID 65038933) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
PubChem CID65038933
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-4-13(5-2,6-3)17-12(18)9-7-10(14)16-11(15)8-9/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKeyZMMDKKXBSRZRTE-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
CID 82832878
2,6-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115969021
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
3-bromo-5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 104630033
3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide
CID 65037878
3-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylbenzamide
CID 104629940
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 65042721
N-[3-(chloromethyl)pentan-3-yl]-3,5-difluorobenzamide
CID 114304531

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide (CID 65038933) is 2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide is CCC(CC)(CC)NC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide?
The InChIKey is ZMMDKKXBSRZRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-4-13(5-2,6-3)17-12(18)9-7-10(14)16-11(15)8-9/h7-8H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide?
2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide has a molecular weight of 289.21 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 65038933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).