[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C18H20FN3O — CID 109225535

IUPAC[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(NCCc2ccc(F)cc2)c1)N1CCCC1
InChIInChI=1S/C18H20FN3O/c19-16-5-3-14(4-6-16)7-8-21-17-11-15(12-20-13-17)18(23)22-9-1-2-10-22/h3-6,11-13,21H,1-2,7-10H2
InChIKeySSOSRBUUJYZKEN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.11
Rot. Bonds5

About [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109225535) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109225535
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(NCCc2ccc(F)cc2)c1)N1CCCC1
InChIInChI=1S/C18H20FN3O/c19-16-5-3-14(4-6-16)7-8-21-17-11-15(12-20-13-17)18(23)22-9-1-2-10-22/h3-6,11-13,21H,1-2,7-10H2
InChIKeySSOSRBUUJYZKEN-UHFFFAOYSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236515
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109236512
4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109226302
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236521
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109223200
[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109224538
[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225545
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109231816
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109225535) is [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(NCCc2ccc(F)cc2)c1)N1CCCC1.
What is the InChIKey of [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SSOSRBUUJYZKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-5-3-14(4-6-16)7-8-21-17-11-15(12-20-13-17)18(23)22-9-1-2-10-22/h3-6,11-13,21H,1-2,7-10H2.
What are the key properties of [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 313.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109225535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).