N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide

C17H20F3N5O2 — CID 122669607

IUPACN-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
SMILESC[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C17H20F3N5O2/c1-10(9-25-7-3-4-11(25)2)22-15(26)13-6-5-12(8-21-13)14-23-16(27-24-14)17(18,19)20/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,22,26)/t10-,11+/m1/s1
InChIKeyWWYALVYVEXRRKS-MNOVXSKESA-N
MW383.37 g/mol
LogP2.75
Rot. Bonds5

About N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide

N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide (PubChem CID 122669607) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
PubChem CID122669607
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC NameN-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
SMILESC[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C17H20F3N5O2/c1-10(9-25-7-3-4-11(25)2)22-15(26)13-6-5-12(8-21-13)14-23-16(27-24-14)17(18,19)20/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,22,26)/t10-,11+/m1/s1
InChIKeyWWYALVYVEXRRKS-MNOVXSKESA-N
XLogP2.75
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide (CID 122669607) is N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide is C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
The InChIKey is WWYALVYVEXRRKS-MNOVXSKESA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-10(9-25-7-3-4-11(25)2)22-15(26)13-6-5-12(8-21-13)14-23-16(27-24-14)17(18,19)20/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,22,26)/t10-,11+/m1/s1.
What are the key properties of N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-2-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122669607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).