N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C25H19F4N5O2 — CID 118393146

IUPACN-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ccc(CC(N)=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C25H19F4N5O2/c1-34-10-9-20(33-34)16-12-17(19(26)13-18(16)25(27,28)29)24(36)32-21-8-7-15(11-22(30)35)31-23(21)14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H2,30,35)(H,32,36)
InChIKeyVKGWMKNXEWYJKG-UHFFFAOYSA-N
MW497.45 g/mol
LogP4.59
Rot. Bonds6

About N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393146) has the molecular formula C25H19F4N5O2 and a molecular weight of 497.45 g/mol. Its IUPAC name is N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118393146
Molecular FormulaC25H19F4N5O2
Molecular Weight497.45 g/mol
Exact Mass497.15
IUPAC NameN-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ccc(CC(N)=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C25H19F4N5O2/c1-34-10-9-20(33-34)16-12-17(19(26)13-18(16)25(27,28)29)24(36)32-21-8-7-15(11-22(30)35)31-23(21)14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H2,30,35)(H,32,36)
InChIKeyVKGWMKNXEWYJKG-UHFFFAOYSA-N
XLogP4.59
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393146) is N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3ccc(CC(N)=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is VKGWMKNXEWYJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O2/c1-34-10-9-20(33-34)16-12-17(19(26)13-18(16)25(27,28)29)24(36)32-21-8-7-15(11-22(30)35)31-23(21)14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H2,30,35)(H,32,36).
What are the key properties of N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 497.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).