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

C14H14FN3O — CID 55041871

IUPAC4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(N)ccn1
InChIInChI=1S/C14H14FN3O/c1-18(9-10-2-4-11(15)5-3-10)14(19)13-8-12(16)6-7-17-13/h2-8H,9H2,1H3,(H2,16,17)
InChIKeyPSPSMFNRGWSLHT-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.08
Rot. Bonds3

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

4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 55041871) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID55041871
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(N)ccn1
InChIInChI=1S/C14H14FN3O/c1-18(9-10-2-4-11(15)5-3-10)14(19)13-8-12(16)6-7-17-13/h2-8H,9H2,1H3,(H2,16,17)
InChIKeyPSPSMFNRGWSLHT-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

N-[(4-fluorophenyl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62243720
4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 115116879
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
4-amino-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 62160198
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
4-amino-N,N-dimethylpyridine-2-carboxamide;hydrochloride
CID 167725414
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
4-amino-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81074023
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide (CID 55041871) is 4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1cc(N)ccn1.
What is the InChIKey of 4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is PSPSMFNRGWSLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18(9-10-2-4-11(15)5-3-10)14(19)13-8-12(16)6-7-17-13/h2-8H,9H2,1H3,(H2,16,17).
What are the key properties of 4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
4-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 4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 55041871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).