N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide

C12H18FN3O2 — CID 113384171

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
SMILESCN(C)CCOCCNC(=O)c1cccc(F)n1
InChIInChI=1S/C12H18FN3O2/c1-16(2)7-9-18-8-6-14-12(17)10-4-3-5-11(13)15-10/h3-5H,6-9H2,1-2H3,(H,14,17)
InChIKeyXWFWFWQWMXICIJ-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.53
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide (PubChem CID 113384171) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
PubChem CID113384171
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
SMILESCN(C)CCOCCNC(=O)c1cccc(F)n1
InChIInChI=1S/C12H18FN3O2/c1-16(2)7-9-18-8-6-14-12(17)10-4-3-5-11(13)15-10/h3-5H,6-9H2,1-2H3,(H,14,17)
InChIKeyXWFWFWQWMXICIJ-UHFFFAOYSA-N
XLogP0.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 115868364
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
CID 115496952
N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115498047
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
CID 106551650
6-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 84575014
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-2-carboxamide
CID 62237016
6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide
CID 115497051
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 102685114

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide (CID 113384171) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide is CN(C)CCOCCNC(=O)c1cccc(F)n1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is XWFWFWQWMXICIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-16(2)7-9-18-8-6-14-12(17)10-4-3-5-11(13)15-10/h3-5H,6-9H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 255.29 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 113384171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).