N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C21H19F4N5O2 — CID 118308067

IUPACN-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2ncc(C(F)(F)F)cc2F)n1
InChIInChI=1S/C21H19F4N5O2/c1-11-27-20(32-30-11)14-6-3-2-5-13(14)19(31)29-17-8-4-7-16(17)28-18-15(22)9-12(10-26-18)21(23,24)25/h2-3,5-6,9-10,16-17H,4,7-8H2,1H3,(H,26,28)(H,29,31)/t16-,17-/m0/s1
InChIKeyKLZOZTLKRUYXCG-IRXDYDNUSA-N
MW449.41 g/mol
LogP4.36
Rot. Bonds5

About N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 118308067) has the molecular formula C21H19F4N5O2 and a molecular weight of 449.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID118308067
Molecular FormulaC21H19F4N5O2
Molecular Weight449.41 g/mol
Exact Mass449.15
IUPAC NameN-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2ncc(C(F)(F)F)cc2F)n1
InChIInChI=1S/C21H19F4N5O2/c1-11-27-20(32-30-11)14-6-3-2-5-13(14)19(31)29-17-8-4-7-16(17)28-18-15(22)9-12(10-26-18)21(23,24)25/h2-3,5-6,9-10,16-17H,4,7-8H2,1H3,(H,26,28)(H,29,31)/t16-,17-/m0/s1
InChIKeyKLZOZTLKRUYXCG-IRXDYDNUSA-N
XLogP4.36
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide 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-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 118308067) is N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2ncc(C(F)(F)F)cc2F)n1.
What is the InChIKey of N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is KLZOZTLKRUYXCG-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H19F4N5O2/c1-11-27-20(32-30-11)14-6-3-2-5-13(14)19(31)29-17-8-4-7-16(17)28-18-15(22)9-12(10-26-18)21(23,24)25/h2-3,5-6,9-10,16-17H,4,7-8H2,1H3,(H,26,28)(H,29,31)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 449.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 118308067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).