N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide

C19H21FN4O2 — CID 124979320

IUPACN-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C19H21FN4O2/c1-13(25)24-7-3-6-18(24)17-12-21-10-16(23-17)11-22-19(26)9-14-4-2-5-15(20)8-14/h2,4-5,8,10,12,18H,3,6-7,9,11H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyMALGQWVCTZGQQL-GOSISDBHSA-N
MW356.40 g/mol
LogP2.16
Rot. Bonds5

About N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide

N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 124979320) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide
PubChem CID124979320
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C19H21FN4O2/c1-13(25)24-7-3-6-18(24)17-12-21-10-16(23-17)11-22-19(26)9-14-4-2-5-15(20)8-14/h2,4-5,8,10,12,18H,3,6-7,9,11H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyMALGQWVCTZGQQL-GOSISDBHSA-N
XLogP2.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide
CID 124966706
4-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methylamino]-4-oxobutanoic acid
CID 175655396
1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110267974
1-[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110267976
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 125024680
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 124998084
N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide
CID 110094688
N-[(2R)-2-fluoro-1-[(2S)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
CID 129454237
N-[(2R)-2-fluoro-1-[(2R)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
CID 129454240
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

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide (CID 124979320) is N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide is CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)Cc2cccc(F)c2)n1.
What is the InChIKey of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is MALGQWVCTZGQQL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-13(25)24-7-3-6-18(24)17-12-21-10-16(23-17)11-22-19(26)9-14-4-2-5-15(20)8-14/h2,4-5,8,10,12,18H,3,6-7,9,11H2,1H3,(H,22,26)/t18-/m1/s1.
What are the key properties of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide?
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 356.40 g/mol, XLogP of 2.16, 5 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 124979320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).