1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide

C18H20FN3O2 — CID 71982296

IUPAC1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCOc1ccncc1NC(=O)C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2/c1-24-17-8-9-20-11-15(17)21-18(23)16-3-2-10-22(16)12-13-4-6-14(19)7-5-13/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,23)
InChIKeyOLSGDRIPHZIRTK-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.83
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide

1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 71982296) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID71982296
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCOc1ccncc1NC(=O)C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2/c1-24-17-8-9-20-11-15(17)21-18(23)16-3-2-10-22(16)12-13-4-6-14(19)7-5-13/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,23)
InChIKeyOLSGDRIPHZIRTK-UHFFFAOYSA-N
XLogP2.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide (CID 71982296) is 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide is COc1ccncc1NC(=O)C1CCCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is OLSGDRIPHZIRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-24-17-8-9-20-11-15(17)21-18(23)16-3-2-10-22(16)12-13-4-6-14(19)7-5-13/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,23).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71982296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).