N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide

C12H18FN3O — CID 115496571

IUPACN-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccc(F)n1
InChIInChI=1S/C12H18FN3O/c1-3-16(4-2)9-8-14-12(17)10-6-5-7-11(13)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,17)
InChIKeyHMXWCHQNFFPWOR-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.29
Rot. Bonds6

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

N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide (PubChem CID 115496571) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
PubChem CID115496571
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccc(F)n1
InChIInChI=1S/C12H18FN3O/c1-3-16(4-2)9-8-14-12(17)10-6-5-7-11(13)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,17)
InChIKeyHMXWCHQNFFPWOR-UHFFFAOYSA-N
XLogP1.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
CID 115496952
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
CID 113384171
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 102685114
N-[2-(diethylamino)ethyl]-6-fluoro-N-(2-methylpropyl)pyridine-2-carboxamide
CID 115497476
N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide
CID 24879251
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide (CID 115496571) is N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide is CCN(CC)CCNC(=O)c1cccc(F)n1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is HMXWCHQNFFPWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-16(4-2)9-8-14-12(17)10-6-5-7-11(13)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide?
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 239.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115496571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).