2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide

C23H16F3N5O — CID 58447863

IUPAC2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1ccc(-c2ccnnc2)c(C(F)(F)F)c1)Nc1ccc(-c2ccccn2)cn1
InChIInChI=1S/C23H16F3N5O/c24-23(25,26)19-11-15(4-6-18(19)16-8-10-29-30-14-16)12-22(32)31-21-7-5-17(13-28-21)20-3-1-2-9-27-20/h1-11,13-14H,12H2,(H,28,31,32)
InChIKeyCHNOTGUABSMKIV-UHFFFAOYSA-N
MW435.41 g/mol
LogP4.80
Rot. Bonds5

About 2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide

2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide (PubChem CID 58447863) has the molecular formula C23H16F3N5O and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
PubChem CID58447863
Molecular FormulaC23H16F3N5O
Molecular Weight435.41 g/mol
Exact Mass435.13
IUPAC Name2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1ccc(-c2ccnnc2)c(C(F)(F)F)c1)Nc1ccc(-c2ccccn2)cn1
InChIInChI=1S/C23H16F3N5O/c24-23(25,26)19-11-15(4-6-18(19)16-8-10-29-30-14-16)12-22(32)31-21-7-5-17(13-28-21)20-3-1-2-9-27-20/h1-11,13-14H,12H2,(H,28,31,32)
InChIKeyCHNOTGUABSMKIV-UHFFFAOYSA-N
XLogP4.80
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,1-difluoroethyl)-4-(3-methylphenyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 91447269
2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447787
2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 90988265
2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 58447671
2-[4-(4-ethyl-6-methylcyclohepta-1,3,6-trien-1-yl)-3-methylphenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 91341916
2-(2-methyl-4-pyridinyl)-5-[2-oxo-3-[5-(4-prop-1-en-2-ylpiperazin-1-yl)-2-pyridinyl]propyl]benzonitrile;bis(1-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-3-(5-pyridin-2-yl-2-pyridinyl)propan-2-one)
CID 157171132
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 160664968
2-(4-phenylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 167973654
N-(5-pyridazin-3-yl-2-pyridinyl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
CID 58447927
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 118560683
2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447780
N-[5-(4-acetyl-1-methylpiperazin-1-ium-1-yl)-2-pyridinyl]-2-[3-(1,1-difluoroethyl)-4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 91487046

Frequently Asked Questions

What is the IUPAC name of 2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide (CID 58447863) is 2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide is O=C(Cc1ccc(-c2ccnnc2)c(C(F)(F)F)c1)Nc1ccc(-c2ccccn2)cn1.
What is the InChIKey of 2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The InChIKey is CHNOTGUABSMKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O/c24-23(25,26)19-11-15(4-6-18(19)16-8-10-29-30-14-16)12-22(32)31-21-7-5-17(13-28-21)20-3-1-2-9-27-20/h1-11,13-14H,12H2,(H,28,31,32).
What are the key properties of 2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide has a molecular weight of 435.41 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 58447863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).