N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C23H14F5N5O — CID 118064634

IUPACN-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(-c2cccc(F)c2F)c1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H14F5N5O/c24-18-3-1-2-17(21(18)25)14-8-16(12-29-10-14)32-22(34)13-6-7-30-20(9-13)33-19-5-4-15(11-31-19)23(26,27)28/h1-12H,(H,32,34)(H,30,31,33)
InChIKeyFOTIKFOHIXPMPZ-UHFFFAOYSA-N
MW471.39 g/mol
LogP5.83
Rot. Bonds5

About N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 118064634) has the molecular formula C23H14F5N5O and a molecular weight of 471.39 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID118064634
Molecular FormulaC23H14F5N5O
Molecular Weight471.39 g/mol
Exact Mass471.11
IUPAC NameN-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(-c2cccc(F)c2F)c1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H14F5N5O/c24-18-3-1-2-17(21(18)25)14-8-16(12-29-10-14)32-22(34)13-6-7-30-20(9-13)33-19-5-4-15(11-31-19)23(26,27)28/h1-12H,(H,32,34)(H,30,31,33)
InChIKeyFOTIKFOHIXPMPZ-UHFFFAOYSA-N
XLogP5.83
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118063872
6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-3-carboxamide
CID 118063764
2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 118072376
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064254
methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 118064236
N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064030
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109178460
2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109177254
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064272

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 118064634) is N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is O=C(Nc1cncc(-c2cccc(F)c2F)c1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is FOTIKFOHIXPMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F5N5O/c24-18-3-1-2-17(21(18)25)14-8-16(12-29-10-14)32-22(34)13-6-7-30-20(9-13)33-19-5-4-15(11-31-19)23(26,27)28/h1-12H,(H,32,34)(H,30,31,33).
What are the key properties of N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 471.39 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 118064634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).