6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide

C18H20FN3O2 — CID 96998195

IUPAC6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N(C)C[C@H](O)c2ccc(F)cc2)nc1
InChIInChI=1S/C18H20FN3O2/c1-3-10-20-18(24)14-6-9-17(21-11-14)22(2)12-16(23)13-4-7-15(19)8-5-13/h3-9,11,16,23H,1,10,12H2,2H3,(H,20,24)/t16-/m0/s1
InChIKeyXFEQUSZTHDBFDB-INIZCTEOSA-N
MW329.38 g/mol
LogP2.31
Rot. Bonds7

About 6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide

6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 96998195) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID96998195
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N(C)C[C@H](O)c2ccc(F)cc2)nc1
InChIInChI=1S/C18H20FN3O2/c1-3-10-20-18(24)14-6-9-17(21-11-14)22(2)12-16(23)13-4-7-15(19)8-5-13/h3-9,11,16,23H,1,10,12H2,2H3,(H,20,24)/t16-/m0/s1
InChIKeyXFEQUSZTHDBFDB-INIZCTEOSA-N
XLogP2.31
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide (CID 96998195) is 6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(N(C)C[C@H](O)c2ccc(F)cc2)nc1.
What is the InChIKey of 6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is XFEQUSZTHDBFDB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-3-10-20-18(24)14-6-9-17(21-11-14)22(2)12-16(23)13-4-7-15(19)8-5-13/h3-9,11,16,23H,1,10,12H2,2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of 6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide?
6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 96998195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).