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

C15H18FN5O3 — CID 169248702

IUPAC4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide
SMILESCOC(C)N1CCC(c2nnc(NC(=O)c3cc(F)ccn3)o2)C1
InChIInChI=1S/C15H18FN5O3/c1-9(23-2)21-6-4-10(8-21)14-19-20-15(24-14)18-13(22)12-7-11(16)3-5-17-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,18,20,22)
InChIKeyRCFBNCKZHCPTJD-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.64
Rot. Bonds5

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

4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide (PubChem CID 169248702) has the molecular formula C15H18FN5O3 and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide
PubChem CID169248702
Molecular FormulaC15H18FN5O3
Molecular Weight335.34 g/mol
Exact Mass335.14
IUPAC Name4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide
SMILESCOC(C)N1CCC(c2nnc(NC(=O)c3cc(F)ccn3)o2)C1
InChIInChI=1S/C15H18FN5O3/c1-9(23-2)21-6-4-10(8-21)14-19-20-15(24-14)18-13(22)12-7-11(16)3-5-17-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,18,20,22)
InChIKeyRCFBNCKZHCPTJD-UHFFFAOYSA-N
XLogP1.64
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl)picolinamide
CID 56724508
N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide
CID 94921452
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-fluoro-4-methylpyridine-2-carboxamide
CID 169248515
N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide
CID 169248665
4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 169248676
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide
CID 170421282
4-fluoro-N-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CID 170421283
(2R,4S)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoro-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 172371638
5-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CID 178612149
N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 178612151
3-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 178612162
3,5-difluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CID 178612177

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide (CID 169248702) is 4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide is COC(C)N1CCC(c2nnc(NC(=O)c3cc(F)ccn3)o2)C1.
What is the InChIKey of 4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is RCFBNCKZHCPTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3/c1-9(23-2)21-6-4-10(8-21)14-19-20-15(24-14)18-13(22)12-7-11(16)3-5-17-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,18,20,22).
What are the key properties of 4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide?
4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169248702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).