azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone

C20H24FN3O — CID 109236515

IUPACazepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCCc2ccc(F)cc2)c1)N1CCCCCC1
InChIInChI=1S/C20H24FN3O/c21-18-7-5-16(6-8-18)9-10-23-19-13-17(14-22-15-19)20(25)24-11-3-1-2-4-12-24/h5-8,13-15,23H,1-4,9-12H2
InChIKeyMPGGWJHHTHLDBN-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.89
Rot. Bonds5

About azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone

azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone (PubChem CID 109236515) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
PubChem CID109236515
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Nameazepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCCc2ccc(F)cc2)c1)N1CCCCCC1
InChIInChI=1S/C20H24FN3O/c21-18-7-5-16(6-8-18)9-10-23-19-13-17(14-22-15-19)20(25)24-11-3-1-2-4-12-24/h5-8,13-15,23H,1-4,9-12H2
InChIKeyMPGGWJHHTHLDBN-UHFFFAOYSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225535
[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
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109224538
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236521
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109223200
[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225545
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112658
[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109231816

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone (CID 109236515) is azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone is O=C(c1cncc(NCCc2ccc(F)cc2)c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
The InChIKey is MPGGWJHHTHLDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-7-5-16(6-8-18)9-10-23-19-13-17(14-22-15-19)20(25)24-11-3-1-2-4-12-24/h5-8,13-15,23H,1-4,9-12H2.
What are the key properties of azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone has a molecular weight of 341.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 109236515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).