2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide

C18H21FN4O3 — CID 68647235

IUPAC2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
SMILESN[C@@H]1C[C@@H](CO)N(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C18H21FN4O3/c19-15-8-13(23-6-2-1-3-18(23)26)4-5-16(15)21-17(25)10-22-9-12(20)7-14(22)11-24/h1-6,8,12,14,24H,7,9-11,20H2,(H,21,25)/t12-,14+/m1/s1
InChIKeyKEWGHSXAMMCHNH-OCCSQVGLSA-N
MW360.39 g/mol
LogP0.31
Rot. Bonds5

About 2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide

2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide (PubChem CID 68647235) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
PubChem CID68647235
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
SMILESN[C@@H]1C[C@@H](CO)N(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C18H21FN4O3/c19-15-8-13(23-6-2-1-3-18(23)26)4-5-16(15)21-17(25)10-22-9-12(20)7-14(22)11-24/h1-6,8,12,14,24H,7,9-11,20H2,(H,21,25)/t12-,14+/m1/s1
InChIKeyKEWGHSXAMMCHNH-OCCSQVGLSA-N
XLogP0.31
TPSA100.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
CID 68646481
(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide
CID 173100301
N-(cyclopropylmethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 140510044
2-[(3S,4S)-3-amino-4-[2-(dimethylamino)-2-oxoethoxy]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
CID 68647166
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
(5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 173100317
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 141145339
(5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide
CID 173100248
(1S,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1-carboxamide
CID 68686790
5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 143317052
5-chloro-N-[(3R,4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 58748347
5-chloro-N-[(3S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42643176

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide (CID 68647235) is 2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide is N[C@@H]1C[C@@H](CO)N(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1.
What is the InChIKey of 2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The InChIKey is KEWGHSXAMMCHNH-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-15-8-13(23-6-2-1-3-18(23)26)4-5-16(15)21-17(25)10-22-9-12(20)7-14(22)11-24/h1-6,8,12,14,24H,7,9-11,20H2,(H,21,25)/t12-,14+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 68647235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).