5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide

C14H20Cl2N2O — CID 55026773

IUPAC5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-3-5-6-10(4-2)8-18-14(19)11-7-12(15)13(16)17-9-11/h7,9-10H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyPIMDIRBMMCLDOL-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.33
Rot. Bonds7

About 5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide

5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide (PubChem CID 55026773) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide
PubChem CID55026773
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-3-5-6-10(4-2)8-18-14(19)11-7-12(15)13(16)17-9-11/h7,9-10H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyPIMDIRBMMCLDOL-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.33
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

4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
CID 100546421
5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746097
[2-chloro-5-[[(2R)-2-ethylhexyl]carbamoyl]phenyl]boronic acid
CID 99738113
5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82683416
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
CID 66482967
5-carbamothioyl-N-(2-ethylhexyl)pyridine-2-carboxamide
CID 107815245
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid
CID 103790246
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
5-chloro-N-(2-ethylhexyl)-2-hydroxybenzamide
CID 14692803
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide (CID 55026773) is 5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide is CCCCC(CC)CNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide?
The InChIKey is PIMDIRBMMCLDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-5-6-10(4-2)8-18-14(19)11-7-12(15)13(16)17-9-11/h7,9-10H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 55026773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).