2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide

C15H15F2N3O — CID 105386146

IUPAC2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1ccnc(N)c1F
InChIInChI=1S/C15H15F2N3O/c1-9(10-5-3-4-6-12(10)16)20(2)15(21)11-7-8-19-14(18)13(11)17/h3-9H,1-2H3,(H2,18,19)
InChIKeyIAQDVLOUSQCUGS-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide

2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide (PubChem CID 105386146) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide
PubChem CID105386146
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1ccnc(N)c1F
InChIInChI=1S/C15H15F2N3O/c1-9(10-5-3-4-6-12(10)16)20(2)15(21)11-7-8-19-14(18)13(11)17/h3-9H,1-2H3,(H2,18,19)
InChIKeyIAQDVLOUSQCUGS-UHFFFAOYSA-N
XLogP2.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62979099
2-amino-3-fluoro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 105385002
2-amino-3-fluoro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105384771
2-amino-N-[1-(2-fluorophenyl)ethyl]-5-hydroxy-N-methylbenzamide
CID 107074458
2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105385823
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980163
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62980702
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62978778
5-bromo-2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62000841
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482
2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105384763
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103865191

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide (CID 105386146) is 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide is CC(c1ccccc1F)N(C)C(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is IAQDVLOUSQCUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-9(10-5-3-4-6-12(10)16)20(2)15(21)11-7-8-19-14(18)13(11)17/h3-9H,1-2H3,(H2,18,19).
What are the key properties of 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide?
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105386146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).