(2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide

C14H14FN3O3 — CID 99599337

IUPAC(2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1CCO[C@H](c2ccco2)C1
InChIInChI=1S/C14H14FN3O3/c15-10-3-4-13(16-8-10)17-14(19)18-5-7-21-12(9-18)11-2-1-6-20-11/h1-4,6,8,12H,5,7,9H2,(H,16,17,19)/t12-/m0/s1
InChIKeyVCLIJKCLALYDKM-LBPRGKRZSA-N
MW291.28 g/mol
LogP2.42
Rot. Bonds2

About (2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide

(2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide (PubChem CID 99599337) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide
PubChem CID99599337
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name(2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1CCO[C@H](c2ccco2)C1
InChIInChI=1S/C14H14FN3O3/c15-10-3-4-13(16-8-10)17-14(19)18-5-7-21-12(9-18)11-2-1-6-20-11/h1-4,6,8,12H,5,7,9H2,(H,16,17,19)/t12-/m0/s1
InChIKeyVCLIJKCLALYDKM-LBPRGKRZSA-N
XLogP2.42
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide (CID 99599337) is (2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide is O=C(Nc1ccc(F)cn1)N1CCO[C@H](c2ccco2)C1.
What is the InChIKey of (2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide?
The InChIKey is VCLIJKCLALYDKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-10-3-4-13(16-8-10)17-14(19)18-5-7-21-12(9-18)11-2-1-6-20-11/h1-4,6,8,12H,5,7,9H2,(H,16,17,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide?
(2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-fluoro-2-pyridinyl)-2-(furan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 99599337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).