6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide

C12H17FN2O2 — CID 115868364

IUPAC6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
SMILESCC(C)COCCNC(=O)c1cccc(F)n1
InChIInChI=1S/C12H17FN2O2/c1-9(2)8-17-7-6-14-12(16)10-4-3-5-11(13)15-10/h3-5,9H,6-8H2,1-2H3,(H,14,16)
InChIKeyDXAKHWQQYSOUCJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.62
Rot. Bonds6

About 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide

6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide (PubChem CID 115868364) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
PubChem CID115868364
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
SMILESCC(C)COCCNC(=O)c1cccc(F)n1
InChIInChI=1S/C12H17FN2O2/c1-9(2)8-17-7-6-14-12(16)10-4-3-5-11(13)15-10/h3-5,9H,6-8H2,1-2H3,(H,14,16)
InChIKeyDXAKHWQQYSOUCJ-UHFFFAOYSA-N
XLogP1.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.62
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

N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
CID 113384171
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
CID 115627193
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 114344735
6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide
CID 115497051
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
CID 115496952
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 102685114

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide (CID 115868364) is 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide is CC(C)COCCNC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is DXAKHWQQYSOUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(2)8-17-7-6-14-12(16)10-4-3-5-11(13)15-10/h3-5,9H,6-8H2,1-2H3,(H,14,16).
What are the key properties of 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115868364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).