N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide

C16H18FN3O — CID 126821345

IUPACN-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(F)nc1)c1ccccc1N(C)C
InChIInChI=1S/C16H18FN3O/c1-11(13-6-4-5-7-14(13)20(2)3)19-16(21)12-8-9-15(17)18-10-12/h4-11H,1-3H3,(H,19,21)
InChIKeyVLHSMUPMIDZMLU-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.78
Rot. Bonds4

About N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide

N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide (PubChem CID 126821345) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide
PubChem CID126821345
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(F)nc1)c1ccccc1N(C)C
InChIInChI=1S/C16H18FN3O/c1-11(13-6-4-5-7-14(13)20(2)3)19-16(21)12-8-9-15(17)18-10-12/h4-11H,1-3H3,(H,19,21)
InChIKeyVLHSMUPMIDZMLU-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.78
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

6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 63977964
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
CID 115674679
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
CID 63977834
6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide
CID 154837884
N-[(S)-(2-chlorophenyl)-cyanomethyl]-6-fluoropyridine-3-carboxamide
CID 96568893

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide (CID 126821345) is N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide is CC(NC(=O)c1ccc(F)nc1)c1ccccc1N(C)C.
What is the InChIKey of N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is VLHSMUPMIDZMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(13-6-4-5-7-14(13)20(2)3)19-16(21)12-8-9-15(17)18-10-12/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide?
N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 126821345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).