2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide

C19H15F2N3O2 — CID 58104423

IUPAC2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESNc1nc(F)ccc1C(=O)NCc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C19H15F2N3O2/c20-13-2-1-3-15(10-13)26-14-6-4-12(5-7-14)11-23-19(25)16-8-9-17(21)24-18(16)22/h1-10H,11H2,(H2,22,24)(H,23,25)
InChIKeyAXWVJAGJJHWCPD-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.66
Rot. Bonds5

About 2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide

2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 58104423) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID58104423
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESNc1nc(F)ccc1C(=O)NCc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C19H15F2N3O2/c20-13-2-1-3-15(10-13)26-14-6-4-12(5-7-14)11-23-19(25)16-8-9-17(21)24-18(16)22/h1-10H,11H2,(H2,22,24)(H,23,25)
InChIKeyAXWVJAGJJHWCPD-UHFFFAOYSA-N
XLogP3.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-fluoro-N-[[4-(3-pentan-3-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843737
2-amino-6-fluoro-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104478
2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104507
2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134
2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843564
2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843843
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843734
2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843895
2-amino-N-[[4-(3-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66844381
2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843132
2-amino-N-[[4-[3-fluoro-5-(trifluoromethoxy)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843358

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide (CID 58104423) is 2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide is Nc1nc(F)ccc1C(=O)NCc1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of 2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is AXWVJAGJJHWCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-13-2-1-3-15(10-13)26-14-6-4-12(5-7-14)11-23-19(25)16-8-9-17(21)24-18(16)22/h1-10H,11H2,(H2,22,24)(H,23,25).
What are the key properties of 2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58104423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).