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

C24H27F3N4O4 — CID 66961767

IUPAC3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccn1)c1ncccc1OC[C@H]1C[C@@H](O)CN1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C24H27F3N4O4/c25-24(26,27)16-8-6-15(7-9-16)23(34)31-13-18(32)12-17(31)14-35-19-4-3-11-29-21(19)22(33)30-20-5-1-2-10-28-20/h1-5,10-11,15-18,32H,6-9,12-14H2,(H,28,30,33)/t15?,16?,17-,18-/m1/s1
InChIKeyPHRGGMCJWCBMBK-OPQOLIRYSA-N
MW492.50 g/mol
LogP3.44
Rot. Bonds6

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

3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 66961767) has the molecular formula C24H27F3N4O4 and a molecular weight of 492.50 g/mol. Its IUPAC name is 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID66961767
Molecular FormulaC24H27F3N4O4
Molecular Weight492.50 g/mol
Exact Mass492.20
IUPAC Name3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccn1)c1ncccc1OC[C@H]1C[C@@H](O)CN1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C24H27F3N4O4/c25-24(26,27)16-8-6-15(7-9-16)23(34)31-13-18(32)12-17(31)14-35-19-4-3-11-29-21(19)22(33)30-20-5-1-2-10-28-20/h1-5,10-11,15-18,32H,6-9,12-14H2,(H,28,30,33)/t15?,16?,17-,18-/m1/s1
InChIKeyPHRGGMCJWCBMBK-OPQOLIRYSA-N
XLogP3.44
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide (CID 66961767) is 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide is O=C(Nc1ccccn1)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-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is PHRGGMCJWCBMBK-OPQOLIRYSA-N. The full InChI is InChI=1S/C24H27F3N4O4/c25-24(26,27)16-8-6-15(7-9-16)23(34)31-13-18(32)12-17(31)14-35-19-4-3-11-29-21(19)22(33)30-20-5-1-2-10-28-20/h1-5,10-11,15-18,32H,6-9,12-14H2,(H,28,30,33)/t15?,16?,17-,18-/m1/s1.
What are the key properties of 3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide?
3-[[(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 66961767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).