N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C22H15F3N6O — CID 118064030

IUPACN-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cnncc1-c1ccccc1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C22H15F3N6O/c23-22(24,25)16-6-7-19(27-11-16)31-20-10-15(8-9-26-20)21(32)30-18-13-29-28-12-17(18)14-4-2-1-3-5-14/h1-13H,(H,26,27,31)(H,28,30,32)
InChIKeyKFTXIIHYXASYPK-UHFFFAOYSA-N
MW436.40 g/mol
LogP4.95
Rot. Bonds5

About N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 118064030) has the molecular formula C22H15F3N6O and a molecular weight of 436.40 g/mol. Its IUPAC name is N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID118064030
Molecular FormulaC22H15F3N6O
Molecular Weight436.40 g/mol
Exact Mass436.13
IUPAC NameN-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cnncc1-c1ccccc1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C22H15F3N6O/c23-22(24,25)16-6-7-19(27-11-16)31-20-10-15(8-9-26-20)21(32)30-18-13-29-28-12-17(18)14-4-2-1-3-5-14/h1-13H,(H,26,27,31)(H,28,30,32)
InChIKeyKFTXIIHYXASYPK-UHFFFAOYSA-N
XLogP4.95
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072386
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155
2-[(5-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064436
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118063872
N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064634
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064272
2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118063909
2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064170
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
N-[6-chloro-4-(2-ethyl-4,5-dimethyl-1,3-dioxolan-2-yl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118065041
2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide
CID 122551141

Frequently Asked Questions

What is the IUPAC name of N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 118064030) is N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is O=C(Nc1cnncc1-c1ccccc1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is KFTXIIHYXASYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6O/c23-22(24,25)16-6-7-19(27-11-16)31-20-10-15(8-9-26-20)21(32)30-18-13-29-28-12-17(18)14-4-2-1-3-5-14/h1-13H,(H,26,27,31)(H,28,30,32).
What are the key properties of N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 436.40 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 118064030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).