N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide

C19H13F4N3O2 — CID 23632434

IUPACN-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13F4N3O2/c20-12-3-5-14(6-4-12)26-18(27)16-2-1-11-24-17(16)25-13-7-9-15(10-8-13)28-19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKeyOTRYHRKTZSCBCX-UHFFFAOYSA-N
MW391.32 g/mol
LogP5.12
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide

N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide (PubChem CID 23632434) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
PubChem CID23632434
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC NameN-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13F4N3O2/c20-12-3-5-14(6-4-12)26-18(27)16-2-1-11-24-17(16)25-13-7-9-15(10-8-13)28-19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKeyOTRYHRKTZSCBCX-UHFFFAOYSA-N
XLogP5.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632906
N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632659
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
2-(cyclohexylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632911
2-[4-(trifluoromethoxy)anilino]pyridine-3-carbothioamide
CID 28514655
N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 118724324
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 54612749
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide (CID 23632434) is N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The InChIKey is OTRYHRKTZSCBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-12-3-5-14(6-4-12)26-18(27)16-2-1-11-24-17(16)25-13-7-9-15(10-8-13)28-19(21,22)23/h1-11H,(H,24,25)(H,26,27).
What are the key properties of N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide has a molecular weight of 391.32 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 23632434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).