2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide

C18H21FN4O2 — CID 68646361

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
SMILESCC1CN(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1N
InChIInChI=1S/C18H21FN4O2/c1-12-9-22(10-15(12)20)11-17(24)21-16-6-5-13(8-14(16)19)23-7-3-2-4-18(23)25/h2-8,12,15H,9-11,20H2,1H3,(H,21,24)
InChIKeyHOYQZWXMGNFRLF-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.19
Rot. Bonds4

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide (PubChem CID 68646361) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
PubChem CID68646361
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
SMILESCC1CN(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1N
InChIInChI=1S/C18H21FN4O2/c1-12-9-22(10-15(12)20)11-17(24)21-16-6-5-13(8-14(16)19)23-7-3-2-4-18(23)25/h2-8,12,15H,9-11,20H2,1H3,(H,21,24)
InChIKeyHOYQZWXMGNFRLF-UHFFFAOYSA-N
XLogP1.19
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 23646334
N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4881886
N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 9116461
N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253429
N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide
CID 17434871
1-cyclopentyl-N-methyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide
CID 16305490
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2457986
N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 2698582
N1-(3-fluorophenyl)-N2-(3-(2-oxopyrrolidin-1-yl)propyl)oxalamide
CID 7292824
1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 9551559
1-(4-fluorophenyl)-N-[(2S)-3-methyl-1-oxo-1-(piperidin-1-yl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17578356
(S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)-N-(4-fluorophenyl)-3-methylbutanamide
CID 44418261

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide (CID 68646361) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide is CC1CN(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The InChIKey is HOYQZWXMGNFRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12-9-22(10-15(12)20)11-17(24)21-16-6-5-13(8-14(16)19)23-7-3-2-4-18(23)25/h2-8,12,15H,9-11,20H2,1H3,(H,21,24).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 68646361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).