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

C23H15ClF3N5O — CID 118063872

IUPACN-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(-c2ccccc2Cl)c1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H15ClF3N5O/c24-19-4-2-1-3-18(19)15-9-17(13-28-11-15)31-22(33)14-7-8-29-21(10-14)32-20-6-5-16(12-30-20)23(25,26)27/h1-13H,(H,31,33)(H,29,30,32)
InChIKeyXUVLUXGLSSHKSY-UHFFFAOYSA-N
MW469.85 g/mol
LogP6.21
Rot. Bonds5

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

N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 118063872) has the molecular formula C23H15ClF3N5O and a molecular weight of 469.85 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID118063872
Molecular FormulaC23H15ClF3N5O
Molecular Weight469.85 g/mol
Exact Mass469.09
IUPAC NameN-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(-c2ccccc2Cl)c1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H15ClF3N5O/c24-19-4-2-1-3-18(19)15-9-17(13-28-11-15)31-22(33)14-7-8-29-21(10-14)32-20-6-5-16(12-30-20)23(25,26)27/h1-13H,(H,31,33)(H,29,30,32)
InChIKeyXUVLUXGLSSHKSY-UHFFFAOYSA-N
XLogP6.21
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.85
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064634
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064254
6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-3-carboxamide
CID 118063764
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
CID 118071052
N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064030
2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 118072376
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155
methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 118064236
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
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109178460

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 118063872) is N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is O=C(Nc1cncc(-c2ccccc2Cl)c1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is XUVLUXGLSSHKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N5O/c24-19-4-2-1-3-18(19)15-9-17(13-28-11-15)31-22(33)14-7-8-29-21(10-14)32-20-6-5-16(12-30-20)23(25,26)27/h1-13H,(H,31,33)(H,29,30,32).
What are the key properties of N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 469.85 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 118063872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).