6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide

C16H18FN3O — CID 39471295

IUPAC6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCc2cccc(F)c2)cn1
InChIInChI=1S/C16H18FN3O/c1-20(2)15-7-6-13(11-19-15)16(21)18-9-8-12-4-3-5-14(17)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)
InChIKeyJBEKBSBNHZXBAX-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.26
Rot. Bonds5

About 6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 39471295) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID39471295
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCc2cccc(F)c2)cn1
InChIInChI=1S/C16H18FN3O/c1-20(2)15-7-6-13(11-19-15)16(21)18-9-8-12-4-3-5-14(17)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)
InChIKeyJBEKBSBNHZXBAX-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529514
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 63978992
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
N-[2-(3-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 63866185
6-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109157535
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81226046
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 39471295) is 6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NCCc2cccc(F)c2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is JBEKBSBNHZXBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-20(2)15-7-6-13(11-19-15)16(21)18-9-8-12-4-3-5-14(17)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21).
What are the key properties of 6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 39471295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).