N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide

C11H14FN3O2 — CID 115496952

IUPACN-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1cccc(F)n1
InChIInChI=1S/C11H14FN3O2/c1-15(2)10(16)6-7-13-11(17)8-4-3-5-9(12)14-8/h3-5H,6-7H2,1-2H3,(H,13,17)
InChIKeyLMFFKAVYQKVROI-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.43
Rot. Bonds4

About N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide (PubChem CID 115496952) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
PubChem CID115496952
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1cccc(F)n1
InChIInChI=1S/C11H14FN3O2/c1-15(2)10(16)6-7-13-11(17)8-4-3-5-9(12)14-8/h3-5H,6-7H2,1-2H3,(H,13,17)
InChIKeyLMFFKAVYQKVROI-UHFFFAOYSA-N
XLogP0.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.43
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-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
CID 113384171
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
CID 115497619
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 102685114
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 115496471
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide (CID 115496952) is N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide is CN(C)C(=O)CCNC(=O)c1cccc(F)n1.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is LMFFKAVYQKVROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-15(2)10(16)6-7-13-11(17)8-4-3-5-9(12)14-8/h3-5H,6-7H2,1-2H3,(H,13,17).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115496952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).