N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H17F3IN3O4 — CID 11852761

IUPACN-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(I)cc(C(=O)NCc2cc(CCO)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3IN3O4/c1-11-17(24)9-16(18(29)25-10-15-8-13(5-6-28)26-31-15)19(30)27(11)14-4-2-3-12(7-14)20(21,22)23/h2-4,7-9,28H,5-6,10H2,1H3,(H,25,29)
InChIKeyUUPVBNRHURJPDD-UHFFFAOYSA-N
MW547.27 g/mol
LogP3.22
Rot. Bonds6

About N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852761) has the molecular formula C20H17F3IN3O4 and a molecular weight of 547.27 g/mol. Its IUPAC name is N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11852761
Molecular FormulaC20H17F3IN3O4
Molecular Weight547.27 g/mol
Exact Mass547.02
IUPAC NameN-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(I)cc(C(=O)NCc2cc(CCO)no2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3IN3O4/c1-11-17(24)9-16(18(29)25-10-15-8-13(5-6-28)26-31-15)19(30)27(11)14-4-2-3-12(7-14)20(21,22)23/h2-4,7-9,28H,5-6,10H2,1H3,(H,25,29)
InChIKeyUUPVBNRHURJPDD-UHFFFAOYSA-N
XLogP3.22
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.27
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852761) is N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(I)cc(C(=O)NCc2cc(CCO)no2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is UUPVBNRHURJPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3IN3O4/c1-11-17(24)9-16(18(29)25-10-15-8-13(5-6-28)26-31-15)19(30)27(11)14-4-2-3-12(7-14)20(21,22)23/h2-4,7-9,28H,5-6,10H2,1H3,(H,25,29).
What are the key properties of N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 547.27 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).