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

C16H19FN6O2 — CID 128974208

IUPAC4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)no1
InChIInChI=1S/C16H19FN6O2/c1-10-20-15(21-25-10)9-23-7-12(17)4-13(23)8-22(2)16(24)14-3-11(5-18)6-19-14/h3,6,12-13,19H,4,7-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyRONUBWIUPUVPQL-STQMWFEESA-N
MW346.37 g/mol
LogP1.26
Rot. Bonds5

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

4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 128974208) has the molecular formula C16H19FN6O2 and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID128974208
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)no1
InChIInChI=1S/C16H19FN6O2/c1-10-20-15(21-25-10)9-23-7-12(17)4-13(23)8-22(2)16(24)14-3-11(5-18)6-19-14/h3,6,12-13,19H,4,7-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyRONUBWIUPUVPQL-STQMWFEESA-N
XLogP1.26
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 164617549
US9670193, 24 (R)-N-(1-(dimethylamino)propan-2-yl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)picolinamide
CID 89601386
N-((R)-1-((S)-2-Methylpyrrolidin-1-yl)propan-2-yl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)picolinamide
CID 122669607
N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 53138242
1-ethyl-4-{[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}-1H-pyrrole-2-carbonitrile
CID 70710699
(4-chloro-1H-pyrrol-2-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72123602
6-[2-(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 72123627
(4-chloro-1H-pyrrol-2-yl)-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72123704
4-(4-fluorophenyl)-N-((3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrrole-2-carboxamide
CID 91632248
5-[4,4-Difluoro-1-(1-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-YL]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 124050820
5-[(2S)-4,4-difluoro-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 124050823
N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 53138209

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 128974208) is 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)no1.
What is the InChIKey of 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is RONUBWIUPUVPQL-STQMWFEESA-N. The full InChI is InChI=1S/C16H19FN6O2/c1-10-20-15(21-25-10)9-23-7-12(17)4-13(23)8-22(2)16(24)14-3-11(5-18)6-19-14/h3,6,12-13,19H,4,7-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 128974208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).