5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid

C19H20FN3O3 — CID 141129415

IUPAC5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cc2ccc(F)cc2)cc1NCCN1CCCC1=O
InChIInChI=1S/C19H20FN3O3/c20-15-5-3-13(4-6-15)10-14-11-16(18(19(25)26)22-12-14)21-7-9-23-8-1-2-17(23)24/h3-6,11-12,21H,1-2,7-10H2,(H,25,26)
InChIKeyLDCXEDCCNYYSGN-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.54
Rot. Bonds7

About 5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid

5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 141129415) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID141129415
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cc2ccc(F)cc2)cc1NCCN1CCCC1=O
InChIInChI=1S/C19H20FN3O3/c20-15-5-3-13(4-6-15)10-14-11-16(18(19(25)26)22-12-14)21-7-9-23-8-1-2-17(23)24/h3-6,11-12,21H,1-2,7-10H2,(H,25,26)
InChIKeyLDCXEDCCNYYSGN-UHFFFAOYSA-N
XLogP2.54
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide
CID 69482455
1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one
CID 131940721
(3R)-3-[[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carbonyl]amino]-5,5-dimethylhexanoic acid
CID 90388327
N-(1,3-dihydroxypropan-2-yl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
CID 69482473
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
CID 69482192
3-[[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carbonyl]amino]pentan-3-ylphosphonic acid
CID 69178136
tert-butyl (3S)-3-[[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopiperidin-1-yl)ethyl]-1,5-naphthyridine-3-carbonyl]amino]butanoate
CID 86612798
1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one
CID 131945132
2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]pyridine-3-carboxylic acid
CID 42637769
6-fluoro-N-[[4-fluoro-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
CID 155574008
6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
CID 54748852
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 56890665

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid (CID 141129415) is 5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid is O=C(O)c1ncc(Cc2ccc(F)cc2)cc1NCCN1CCCC1=O.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is LDCXEDCCNYYSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-5-3-13(4-6-15)10-14-11-16(18(19(25)26)22-12-14)21-7-9-23-8-1-2-17(23)24/h3-6,11-12,21H,1-2,7-10H2,(H,25,26).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid?
5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 357.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 141129415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).