(3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide

C16H22F3N3O3 — CID 122446875

IUPAC(3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide
SMILESNC(=O)C[C@H](CN1CCCC1)[C@@H](O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H22F3N3O3/c17-16(18,19)10-25-14-4-3-11(8-21-14)15(24)12(7-13(20)23)9-22-5-1-2-6-22/h3-4,8,12,15,24H,1-2,5-7,9-10H2,(H2,20,23)/t12-,15+/m1/s1
InChIKeyNFQAVMNELIQBAA-DOMZBBRYSA-N
MW361.36 g/mol
LogP1.64
Rot. Bonds8

About (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide

(3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide (PubChem CID 122446875) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide
PubChem CID122446875
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Name(3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide
SMILESNC(=O)C[C@H](CN1CCCC1)[C@@H](O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H22F3N3O3/c17-16(18,19)10-25-14-4-3-11(8-21-14)15(24)12(7-13(20)23)9-22-5-1-2-6-22/h3-4,8,12,15,24H,1-2,5-7,9-10H2,(H2,20,23)/t12-,15+/m1/s1
InChIKeyNFQAVMNELIQBAA-DOMZBBRYSA-N
XLogP1.64
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide with MolForge

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Related Compounds

N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide
CID 75367850
8-Hydroxy-2-[6-(2,2,2-trifluoro-ethoxy)-pyridin-3-yl]-2-aza-spiro[4.5]decan-1-one
CID 66580135
2-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 66752208
2-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 66752209
2-[(R)-phenyl(pyrrolidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine
CID 66752210
2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 66752211
2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 66752912
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine
CID 66752913
(3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide
CID 67193753
1-[6-(4-Trifluoromethyl-phenoxy)-pyridin-3-yl]-heptan-1-ol
CID 67341912
1-[4-[(3S)-3-(4-aminophenyl)-4-[(1S)-1-[5-(trifluoromethyl)pyridin-2-yl]oxyethyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 68201888
4-(3,5-difluorophenyl)-6-hydroxy-5-methyl-4-phenyl-6-[(2R,4S)-4-pyridin-2-yloxypyrrolidin-2-yl]hexanamide
CID 69582125

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide?
The IUPAC name of (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide (CID 122446875) is (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide.
What is the SMILES notation for (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide?
The canonical SMILES for (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide is NC(=O)C[C@H](CN1CCCC1)[C@@H](O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide?
The InChIKey is NFQAVMNELIQBAA-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c17-16(18,19)10-25-14-4-3-11(8-21-14)15(24)12(7-13(20)23)9-22-5-1-2-6-22/h3-4,8,12,15,24H,1-2,5-7,9-10H2,(H2,20,23)/t12-,15+/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide?
(3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide has a molecular weight of 361.36 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide is sourced from PubChem (CID 122446875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).