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

C15H18FN5O2 — CID 128993783

IUPACN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccncc2)no1
InChIInChI=1S/C15H18FN5O2/c1-10-19-14(20-23-10)9-21-8-12(16)6-13(21)7-18-15(22)11-2-4-17-5-3-11/h2-5,12-13H,6-9H2,1H3,(H,18,22)/t12-,13-/m0/s1
InChIKeyLLABKLJNXJPGNB-STQMWFEESA-N
MW319.34 g/mol
LogP1.12
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 128993783) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
PubChem CID128993783
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccncc2)no1
InChIInChI=1S/C15H18FN5O2/c1-10-19-14(20-23-10)9-21-8-12(16)6-13(21)7-18-15(22)11-2-4-17-5-3-11/h2-5,12-13H,6-9H2,1H3,(H,18,22)/t12-,13-/m0/s1
InChIKeyLLABKLJNXJPGNB-STQMWFEESA-N
XLogP1.12
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 128991000
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide
CID 128974810
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolane-2-carboxamide
CID 128994015
(2S)-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 129475245
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 128974213
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]benzamide
CID 128974612
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 154737127
tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate
CID 100765596
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide
CID 131900099
1-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea
CID 129007570
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]benzamide
CID 128990707
1-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1,2-oxazol-3-yl)urea
CID 128994763

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide (CID 128993783) is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccncc2)no1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is LLABKLJNXJPGNB-STQMWFEESA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-10-19-14(20-23-10)9-21-8-12(16)6-13(21)7-18-15(22)11-2-4-17-5-3-11/h2-5,12-13H,6-9H2,1H3,(H,18,22)/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 128993783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).