5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide

C14H14FN3O — CID 81316642

IUPAC5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C14H14FN3O/c1-18(9-10-2-4-11(15)5-3-10)14(19)13-7-6-12(16)8-17-13/h2-8H,9,16H2,1H3
InChIKeyMBVJDINPSCWIJY-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.08
Rot. Bonds3

About 5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide

5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 81316642) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID81316642
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C14H14FN3O/c1-18(9-10-2-4-11(15)5-3-10)14(19)13-7-6-12(16)8-17-13/h2-8H,9,16H2,1H3
InChIKeyMBVJDINPSCWIJY-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81317186
5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81310441
4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 55041871
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316278
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61041688
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 81316878
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
N-[(4-fluorophenyl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62243720
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55144453
5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330494
5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 63723051

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide (CID 81316642) is 5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is MBVJDINPSCWIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18(9-10-2-4-11(15)5-3-10)14(19)13-7-6-12(16)8-17-13/h2-8H,9,16H2,1H3.
What are the key properties of 5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 81316642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).