3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide

C22H25F3N4O5 — CID 50917776

IUPAC3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccon1)c1ncccc1OC[C@H]1C[C@@H](O)CN1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C22H25F3N4O5/c23-22(24,25)14-5-3-13(4-6-14)21(32)29-11-16(30)10-15(29)12-33-17-2-1-8-26-19(17)20(31)27-18-7-9-34-28-18/h1-2,7-9,13-16,30H,3-6,10-12H2,(H,27,28,31)/t13?,14?,15-,16-/m1/s1
InChIKeyCNIMPIGQFDQANN-QDIHITRGSA-N
MW482.46 g/mol
LogP3.03
Rot. Bonds6

About 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide

3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide (PubChem CID 50917776) has the molecular formula C22H25F3N4O5 and a molecular weight of 482.46 g/mol. Its IUPAC name is 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
PubChem CID50917776
Molecular FormulaC22H25F3N4O5
Molecular Weight482.46 g/mol
Exact Mass482.18
IUPAC Name3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccon1)c1ncccc1OC[C@H]1C[C@@H](O)CN1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C22H25F3N4O5/c23-22(24,25)14-5-3-13(4-6-14)21(32)29-11-16(30)10-15(29)12-33-17-2-1-8-26-19(17)20(31)27-18-7-9-34-28-18/h1-2,7-9,13-16,30H,3-6,10-12H2,(H,27,28,31)/t13?,14?,15-,16-/m1/s1
InChIKeyCNIMPIGQFDQANN-QDIHITRGSA-N
XLogP3.03
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide (CID 50917776) is 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide is O=C(Nc1ccon1)c1ncccc1OC[C@H]1C[C@@H](O)CN1C(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide?
The InChIKey is CNIMPIGQFDQANN-QDIHITRGSA-N. The full InChI is InChI=1S/C22H25F3N4O5/c23-22(24,25)14-5-3-13(4-6-14)21(32)29-11-16(30)10-15(29)12-33-17-2-1-8-26-19(17)20(31)27-18-7-9-34-28-18/h1-2,7-9,13-16,30H,3-6,10-12H2,(H,27,28,31)/t13?,14?,15-,16-/m1/s1.
What are the key properties of 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide?
3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide has a molecular weight of 482.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 50917776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).