N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide

C14H18F2N2O2 — CID 105381247

IUPACN-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(NCCOC1CCCCC1)c1ccnc(F)c1F
InChIInChI=1S/C14H18F2N2O2/c15-12-11(6-7-17-13(12)16)14(19)18-8-9-20-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19)
InChIKeyBSROCQXFWNAZML-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.44
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide

N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381247) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105381247
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(NCCOC1CCCCC1)c1ccnc(F)c1F
InChIInChI=1S/C14H18F2N2O2/c15-12-11(6-7-17-13(12)16)14(19)18-8-9-20-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19)
InChIKeyBSROCQXFWNAZML-UHFFFAOYSA-N
XLogP2.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
CID 63833449
2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63828189
2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
CID 113255607
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2-amino-N-(2-cyclopentyloxyethyl)pyridine-4-carboxamide
CID 63834137
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 63834324
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide (CID 105381247) is N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide is O=C(NCCOC1CCCCC1)c1ccnc(F)c1F.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is BSROCQXFWNAZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-12-11(6-7-17-13(12)16)14(19)18-8-9-20-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19).
What are the key properties of N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide?
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).