5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C23H18F4N2O4 — CID 170701183

IUPAC5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C23H18F4N2O4/c24-16-3-1-2-13(8-16)18-9-14(21(31)29-19-11-32-12-20(19)30)10-28-22(18)33-17-6-4-15(5-7-17)23(25,26)27/h1-10,19-20,30H,11-12H2,(H,29,31)/t19-,20+/m0/s1
InChIKeyAYEQUXSCJBDPOM-VQTJNVASSA-N
MW462.40 g/mol
LogP4.19
Rot. Bonds5

About 5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 170701183) has the molecular formula C23H18F4N2O4 and a molecular weight of 462.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
PubChem CID170701183
Molecular FormulaC23H18F4N2O4
Molecular Weight462.40 g/mol
Exact Mass462.12
IUPAC Name5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C23H18F4N2O4/c24-16-3-1-2-13(8-16)18-9-14(21(31)29-19-11-32-12-20(19)30)10-28-22(18)33-17-6-4-15(5-7-17)23(25,26)27/h1-10,19-20,30H,11-12H2,(H,29,31)/t19-,20+/m0/s1
InChIKeyAYEQUXSCJBDPOM-VQTJNVASSA-N
XLogP4.19
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 170701183) is 5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is O=C(N[C@H]1COC[C@H]1O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is AYEQUXSCJBDPOM-VQTJNVASSA-N. The full InChI is InChI=1S/C23H18F4N2O4/c24-16-3-1-2-13(8-16)18-9-14(21(31)29-19-11-32-12-20(19)30)10-28-22(18)33-17-6-4-15(5-7-17)23(25,26)27/h1-10,19-20,30H,11-12H2,(H,29,31)/t19-,20+/m0/s1.
What are the key properties of 5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 462.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170701183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).