(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide

C19H21FN4O3 — CID 173100301

IUPAC(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide
SMILESC[C@H]1CC(C(N)=O)N(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C19H21FN4O3/c1-12-8-16(19(21)27)23(10-12)11-17(25)22-15-6-5-13(9-14(15)20)24-7-3-2-4-18(24)26/h2-7,9,12,16H,8,10-11H2,1H3,(H2,21,27)(H,22,25)/t12-,16?/m0/s1
InChIKeyJONZGCFIXVJHBH-HKALDPMFSA-N
MW372.40 g/mol
LogP1.11
Rot. Bonds5

About (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide

(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide (PubChem CID 173100301) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide
PubChem CID173100301
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide
SMILESC[C@H]1CC(C(N)=O)N(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C19H21FN4O3/c1-12-8-16(19(21)27)23(10-12)11-17(25)22-15-6-5-13(9-14(15)20)24-7-3-2-4-18(24)26/h2-7,9,12,16H,8,10-11H2,1H3,(H2,21,27)(H,22,25)/t12-,16?/m0/s1
InChIKeyJONZGCFIXVJHBH-HKALDPMFSA-N
XLogP1.11
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(5S)-5-(acetamidomethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 173100317
2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
CID 68647235
(5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide
CID 173100248
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
N-(cyclopropylmethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 140510044
5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 143317052
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
(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide
CID 68686788
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 45270763
N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 91005801
(1S,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1-carboxamide
CID 68686790

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide (CID 173100301) is (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide is C[C@H]1CC(C(N)=O)N(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1.
What is the InChIKey of (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide?
The InChIKey is JONZGCFIXVJHBH-HKALDPMFSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-12-8-16(19(21)27)23(10-12)11-17(25)22-15-6-5-13(9-14(15)20)24-7-3-2-4-18(24)26/h2-7,9,12,16H,8,10-11H2,1H3,(H2,21,27)(H,22,25)/t12-,16?/m0/s1.
What are the key properties of (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide?
(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 173100301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).