6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide

C18H20FN3O3 — CID 71086744

IUPAC6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(F)c2)cn1
InChIInChI=1S/C18H20FN3O3/c1-2-24-17-6-3-12(10-21-17)18(23)22-13-4-5-14(15(19)9-13)16-11-20-7-8-25-16/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyZSMYBXDXFGJASJ-INIZCTEOSA-N
MW345.37 g/mol
LogP2.53
Rot. Bonds5

About 6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide

6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 71086744) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID71086744
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(F)c2)cn1
InChIInChI=1S/C18H20FN3O3/c1-2-24-17-6-3-12(10-21-17)18(23)22-13-4-5-14(15(19)9-13)16-11-20-7-8-25-16/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyZSMYBXDXFGJASJ-INIZCTEOSA-N
XLogP2.53
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide (CID 71086744) is 6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(F)c2)cn1.
What is the InChIKey of 6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZSMYBXDXFGJASJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-2-24-17-6-3-12(10-21-17)18(23)22-13-4-5-14(15(19)9-13)16-11-20-7-8-25-16/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide?
6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71086744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).