5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

C23H24FN3O2S — CID 24797616

IUPAC5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCc2nccs2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H24FN3O2S/c24-17-7-5-15(6-8-17)18-13-16(23(29)27-20-3-1-2-4-21(20)28)14-26-19(18)9-10-22-25-11-12-30-22/h5-8,11-14,20-21,28H,1-4,9-10H2,(H,27,29)/t20-,21-/m1/s1
InChIKeySTNCAAXJDVSHIV-NHCUHLMSSA-N
MW425.53 g/mol
LogP4.16
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 24797616) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID24797616
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCc2nccs2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H24FN3O2S/c24-17-7-5-15(6-8-17)18-13-16(23(29)27-20-3-1-2-4-21(20)28)14-26-19(18)9-10-22-25-11-12-30-22/h5-8,11-14,20-21,28H,1-4,9-10H2,(H,27,29)/t20-,21-/m1/s1
InChIKeySTNCAAXJDVSHIV-NHCUHLMSSA-N
XLogP4.16
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (CID 24797616) is 5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCc2nccs2)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is STNCAAXJDVSHIV-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c24-17-7-5-15(6-8-17)18-13-16(23(29)27-20-3-1-2-4-21(20)28)14-26-19(18)9-10-22-25-11-12-30-22/h5-8,11-14,20-21,28H,1-4,9-10H2,(H,27,29)/t20-,21-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 24797616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).