N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide

C18H19FN4O2 — CID 124966706

IUPACN-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide
SMILESCC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2ccccc2F)n1
InChIInChI=1S/C18H19FN4O2/c1-12(24)23-8-4-7-17(23)16-11-20-9-13(22-16)10-21-18(25)14-5-2-3-6-15(14)19/h2-3,5-6,9,11,17H,4,7-8,10H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyINRDCOGDYDQFOS-QGZVFWFLSA-N
MW342.37 g/mol
LogP2.23
Rot. Bonds4

About N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide

N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide (PubChem CID 124966706) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide
PubChem CID124966706
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide
SMILESCC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2ccccc2F)n1
InChIInChI=1S/C18H19FN4O2/c1-12(24)23-8-4-7-17(23)16-11-20-9-13(22-16)10-21-18(25)14-5-2-3-6-15(14)19/h2-3,5-6,9,11,17H,4,7-8,10H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyINRDCOGDYDQFOS-QGZVFWFLSA-N
XLogP2.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide
CID 110094688
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 124979320
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 124998084
4-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methylamino]-4-oxobutanoic acid
CID 175655396
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 125024680
N-[[6-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110268251
N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094831
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124953124
1-[2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110117305
1-[(2S)-2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124940144
1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956770
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide
CID 124981869

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide (CID 124966706) is N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide is CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)c2ccccc2F)n1.
What is the InChIKey of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide?
The InChIKey is INRDCOGDYDQFOS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-12(24)23-8-4-7-17(23)16-11-20-9-13(22-16)10-21-18(25)14-5-2-3-6-15(14)19/h2-3,5-6,9,11,17H,4,7-8,10H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide?
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide has a molecular weight of 342.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 124966706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).