1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide

C21H20FN3O3 — CID 90579375

IUPAC1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(OCC#CCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C21H20FN3O3/c1-15-4-9-19(13-24-15)28-11-3-2-10-23-21(27)16-12-20(26)25(14-16)18-7-5-17(22)6-8-18/h4-9,13,16H,10-12,14H2,1H3,(H,23,27)
InChIKeyOMUDVMMKTXJWQB-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.08
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 90579375) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID90579375
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(OCC#CCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C21H20FN3O3/c1-15-4-9-19(13-24-15)28-11-3-2-10-23-21(27)16-12-20(26)25(14-16)18-7-5-17(22)6-8-18/h4-9,13,16H,10-12,14H2,1H3,(H,23,27)
InChIKeyOMUDVMMKTXJWQB-UHFFFAOYSA-N
XLogP2.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-5-oxo-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]pyrrolidine-3-carboxamide
CID 90575918
1-(4-methoxyphenyl)-5-oxo-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]pyrrolidine-3-carboxamide
CID 90575920
1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]piperidine-3-carboxamide
CID 90579233
N-[3-(4-fluorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90548213
N-[2-(4-fluorophenoxy)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46599827
N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90578157
1-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6485185
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2955372
(3S)-1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976973
1-(4-fluorophenyl)-5-oxo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]pyrrolidine-3-carboxamide
CID 90551382
(3R)-N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39341475

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide (CID 90579375) is 1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(OCC#CCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OMUDVMMKTXJWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-15-4-9-19(13-24-15)28-11-3-2-10-23-21(27)16-12-20(26)25(14-16)18-7-5-17(22)6-8-18/h4-9,13,16H,10-12,14H2,1H3,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90579375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).