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

C25H20F3N5O2 — CID 118393256

IUPACN-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(CC(N)=O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C25H20F3N5O2/c1-33-10-9-20(32-33)18-13-17(7-8-19(18)25(26,27)28)24(35)31-21-11-15(12-22(29)34)14-30-23(21)16-5-3-2-4-6-16/h2-11,13-14H,12H2,1H3,(H2,29,34)(H,31,35)
InChIKeyKEAUQXKCSPOLFG-UHFFFAOYSA-N
MW479.46 g/mol
LogP4.45
Rot. Bonds6

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

N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393256) has the molecular formula C25H20F3N5O2 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118393256
Molecular FormulaC25H20F3N5O2
Molecular Weight479.46 g/mol
Exact Mass479.16
IUPAC NameN-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(CC(N)=O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C25H20F3N5O2/c1-33-10-9-20(32-33)18-13-17(7-8-19(18)25(26,27)28)24(35)31-21-11-15(12-22(29)34)14-30-23(21)16-5-3-2-4-6-16/h2-11,13-14H,12H2,1H3,(H2,29,34)(H,31,35)
InChIKeyKEAUQXKCSPOLFG-UHFFFAOYSA-N
XLogP4.45
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393256) is N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cc(CC(N)=O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is KEAUQXKCSPOLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2/c1-33-10-9-20(32-33)18-13-17(7-8-19(18)25(26,27)28)24(35)31-21-11-15(12-22(29)34)14-30-23(21)16-5-3-2-4-6-16/h2-11,13-14H,12H2,1H3,(H2,29,34)(H,31,35).
What are the key properties of N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 479.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).