[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate

C20H22FN3O4 — CID 18140204

IUPAC[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCC(OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O4/c1-14(19(25)23-12-15-2-5-17(21)6-3-15)28-20(26)16-4-7-18(22-13-16)24-8-10-27-11-9-24/h2-7,13-14H,8-12H2,1H3,(H,23,25)
InChIKeyJESTWNPEIVMBPS-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.92
Rot. Bonds6

About [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate

[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 18140204) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID18140204
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCC(OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O4/c1-14(19(25)23-12-15-2-5-17(21)6-3-15)28-20(26)16-4-7-18(22-13-16)24-8-10-27-11-9-24/h2-7,13-14H,8-12H2,1H3,(H,23,25)
InChIKeyJESTWNPEIVMBPS-UHFFFAOYSA-N
XLogP1.92
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate (CID 18140204) is [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate is CC(OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is JESTWNPEIVMBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-14(19(25)23-12-15-2-5-17(21)6-3-15)28-20(26)16-4-7-18(22-13-16)24-8-10-27-11-9-24/h2-7,13-14H,8-12H2,1H3,(H,23,25).
What are the key properties of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate?
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 387.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 18140204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).