N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide

C20H18F3N5O3 — CID 28960715

IUPACN-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C20H18F3N5O3/c1-28-11-13(25-18(29)15-4-2-3-9-24-15)10-16(28)19-26-17(27-31-19)12-5-7-14(8-6-12)30-20(21,22)23/h2-9,13,16H,10-11H2,1H3,(H,25,29)/t13-,16-/m0/s1
InChIKeyFCVFUNVECMCOMN-BBRMVZONSA-N
MW433.39 g/mol
LogP3.21
Rot. Bonds5

About N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide

N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 28960715) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID28960715
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC NameN-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C20H18F3N5O3/c1-28-11-13(25-18(29)15-4-2-3-9-24-15)10-16(28)19-26-17(27-31-19)12-5-7-14(8-6-12)30-20(21,22)23/h2-9,13,16H,10-11H2,1H3,(H,25,29)/t13-,16-/m0/s1
InChIKeyFCVFUNVECMCOMN-BBRMVZONSA-N
XLogP3.21
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-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-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide (CID 28960715) is N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide is CN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1.
What is the InChIKey of N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is FCVFUNVECMCOMN-BBRMVZONSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-28-11-13(25-18(29)15-4-2-3-9-24-15)10-16(28)19-26-17(27-31-19)12-5-7-14(8-6-12)30-20(21,22)23/h2-9,13,16H,10-11H2,1H3,(H,25,29)/t13-,16-/m0/s1.
What are the key properties of N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide?
N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 28960715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).