1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide

C18H22FN3O2 — CID 136520684

IUPAC1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCN1CC=C(CNC(=O)C2CCN(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C18H22FN3O2/c1-21-9-6-13(7-10-21)12-20-17(23)16-8-11-22(18(16)24)15-4-2-14(19)3-5-15/h2-6,16H,7-12H2,1H3,(H,20,23)
InChIKeyPAGGAZJAJZHDGT-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.56
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 136520684) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID136520684
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCN1CC=C(CNC(=O)C2CCN(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C18H22FN3O2/c1-21-9-6-13(7-10-21)12-20-17(23)16-8-11-22(18(16)24)15-4-2-14(19)3-5-15/h2-6,16H,7-12H2,1H3,(H,20,23)
InChIKeyPAGGAZJAJZHDGT-UHFFFAOYSA-N
XLogP1.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 50797734
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 20964283
1-(4-fluorophenyl)-2-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 50797645
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
(3R)-N-[(4-butoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 94080020
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 50797727
(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 95056114
1-(4-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 50797771
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 167940434
2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187687

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 136520684) is 1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide is CN1CC=C(CNC(=O)C2CCN(c3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PAGGAZJAJZHDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-21-9-6-13(7-10-21)12-20-17(23)16-8-11-22(18(16)24)15-4-2-14(19)3-5-15/h2-6,16H,7-12H2,1H3,(H,20,23).
What are the key properties of 1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136520684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).