6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide

C16H18FN3O — CID 78956160

IUPAC6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C16H18FN3O/c1-20(2)16(21)13-5-8-15(19-11-13)18-10-9-12-3-6-14(17)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyFEIDMVPSHMJCEF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.58
Rot. Bonds5

About 6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide

6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 78956160) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID78956160
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C16H18FN3O/c1-20(2)16(21)13-5-8-15(19-11-13)18-10-9-12-3-6-14(17)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyFEIDMVPSHMJCEF-UHFFFAOYSA-N
XLogP2.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064
6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109154237
N-[4-(dimethylamino)phenyl]-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158671
6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133378556
N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
CID 109158696
N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158626
6-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607
N,N-dimethyl-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133323231
N,N-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxamide
CID 103744306
N,N-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxamide
CID 79829668
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide (CID 78956160) is 6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCCc2ccc(F)cc2)nc1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is FEIDMVPSHMJCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-20(2)16(21)13-5-8-15(19-11-13)18-10-9-12-3-6-14(17)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 78956160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).