2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide

C15H22F2N2O — CID 105380997

IUPAC2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
SMILESCC(C)CCCCCCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C15H22F2N2O/c1-11(2)7-5-3-4-6-9-19-15(20)12-8-10-18-14(17)13(12)16/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyGXZTYBIHRVGNTR-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.70
Rot. Bonds8

About 2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide

2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide (PubChem CID 105380997) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
PubChem CID105380997
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
SMILESCC(C)CCCCCCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C15H22F2N2O/c1-11(2)7-5-3-4-6-9-19-15(20)12-8-10-18-14(17)13(12)16/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyGXZTYBIHRVGNTR-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide
CID 107470818
2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
CID 103893182

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide (CID 105380997) is 2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide is CC(C)CCCCCCNC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide?
The InChIKey is GXZTYBIHRVGNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-11(2)7-5-3-4-6-9-19-15(20)12-8-10-18-14(17)13(12)16/h8,10-11H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of 2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide?
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide has a molecular weight of 284.35 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).