(2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide

C18H20FN3O2 — CID 97151710

IUPAC(2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2F)C[C@H](C(N)=O)O1
InChIInChI=1S/C18H20FN3O2/c1-12-9-22(11-17(24-12)18(20)23)10-15-3-2-14(8-16(15)19)13-4-6-21-7-5-13/h2-8,12,17H,9-11H2,1H3,(H2,20,23)/t12-,17-/m1/s1
InChIKeyGRDYQGPUNGIOML-SJKOYZFVSA-N
MW329.38 g/mol
LogP1.96
Rot. Bonds4

About (2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide

(2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide (PubChem CID 97151710) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide
PubChem CID97151710
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2F)C[C@H](C(N)=O)O1
InChIInChI=1S/C18H20FN3O2/c1-12-9-22(11-17(24-12)18(20)23)10-15-3-2-14(8-16(15)19)13-4-6-21-7-5-13/h2-8,12,17H,9-11H2,1H3,(H2,20,23)/t12-,17-/m1/s1
InChIKeyGRDYQGPUNGIOML-SJKOYZFVSA-N
XLogP1.96
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide (CID 97151710) is (2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(Cc2ccc(-c3ccncc3)cc2F)C[C@H](C(N)=O)O1.
What is the InChIKey of (2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is GRDYQGPUNGIOML-SJKOYZFVSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-9-22(11-17(24-12)18(20)23)10-15-3-2-14(8-16(15)19)13-4-6-21-7-5-13/h2-8,12,17H,9-11H2,1H3,(H2,20,23)/t12-,17-/m1/s1.
What are the key properties of (2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide?
(2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 97151710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).