2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide

C20H15F4N3O3 — CID 152730865

IUPAC2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3ccccc3OC(F)(F)F)cc2)c(N)nc1F
InChIInChI=1S/C20H15F4N3O3/c1-11-10-14(18(25)27-17(11)21)19(28)26-12-6-8-13(9-7-12)29-15-4-2-3-5-16(15)30-20(22,23)24/h2-10H,1H3,(H2,25,27)(H,26,28)
InChIKeyZXPDNIWNKGMSOZ-UHFFFAOYSA-N
MW421.35 g/mol
LogP5.05
Rot. Bonds5

About 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide

2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide (PubChem CID 152730865) has the molecular formula C20H15F4N3O3 and a molecular weight of 421.35 g/mol. Its IUPAC name is 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide
PubChem CID152730865
Molecular FormulaC20H15F4N3O3
Molecular Weight421.35 g/mol
Exact Mass421.10
IUPAC Name2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3ccccc3OC(F)(F)F)cc2)c(N)nc1F
InChIInChI=1S/C20H15F4N3O3/c1-11-10-14(18(25)27-17(11)21)19(28)26-12-6-8-13(9-7-12)29-15-4-2-3-5-16(15)30-20(22,23)24/h2-10H,1H3,(H2,25,27)(H,26,28)
InChIKeyZXPDNIWNKGMSOZ-UHFFFAOYSA-N
XLogP5.05
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.35
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide
CID 152636020
6-amino-2-fluoro-N-[4-(4-fluorophenoxy)phenyl]-5-methylpyridine-3-carboxamide
CID 154264251
2-amino-5-fluoro-6-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 154311592
2-amino-6-chloro-5-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 154191475
2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide
CID 151119836
2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide
CID 150267514
2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide
CID 150489878
2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
CID 150972391
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
N-(4-fluorophenyl)-3-methylnaphthalene-2-carboxamide
CID 91032994

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide (CID 152730865) is 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Oc3ccccc3OC(F)(F)F)cc2)c(N)nc1F.
What is the InChIKey of 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide?
The InChIKey is ZXPDNIWNKGMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O3/c1-11-10-14(18(25)27-17(11)21)19(28)26-12-6-8-13(9-7-12)29-15-4-2-3-5-16(15)30-20(22,23)24/h2-10H,1H3,(H2,25,27)(H,26,28).
What are the key properties of 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide?
2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide has a molecular weight of 421.35 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 152730865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).