4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide

C15H17FN6O2 — CID 128991398

IUPAC4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cc(C#N)cn2C)o1
InChIInChI=1S/C15H17FN6O2/c1-9-19-20-15(24-9)22-8-11(16)4-12(22)6-18-14(23)13-3-10(5-17)7-21(13)2/h3,7,11-12H,4,6,8H2,1-2H3,(H,18,23)/t11-,12-/m0/s1
InChIKeyQZFIGFZMTHEIEB-RYUDHWBXSA-N
MW332.34 g/mol
LogP0.94
Rot. Bonds4

About 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide

4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 128991398) has the molecular formula C15H17FN6O2 and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID128991398
Molecular FormulaC15H17FN6O2
Molecular Weight332.34 g/mol
Exact Mass332.14
IUPAC Name4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cc(C#N)cn2C)o1
InChIInChI=1S/C15H17FN6O2/c1-9-19-20-15(24-9)22-8-11(16)4-12(22)6-18-14(23)13-3-10(5-17)7-21(13)2/h3,7,11-12H,4,6,8H2,1-2H3,(H,18,23)/t11-,12-/m0/s1
InChIKeyQZFIGFZMTHEIEB-RYUDHWBXSA-N
XLogP0.94
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 128991398) is 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide is Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cc(C#N)cn2C)o1.
What is the InChIKey of 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is QZFIGFZMTHEIEB-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H17FN6O2/c1-9-19-20-15(24-9)22-8-11(16)4-12(22)6-18-14(23)13-3-10(5-17)7-21(13)2/h3,7,11-12H,4,6,8H2,1-2H3,(H,18,23)/t11-,12-/m0/s1.
What are the key properties of 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 128991398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).