2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide

C16H22F3N3O2 — CID 72931677

IUPAC2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(C)[C@H]1CN(Cc2ccc(C(F)(F)F)nc2)C[C@@H]1NC(=O)CO
InChIInChI=1S/C16H22F3N3O2/c1-10(2)12-7-22(8-13(12)21-15(24)9-23)6-11-3-4-14(20-5-11)16(17,18)19/h3-5,10,12-13,23H,6-9H2,1-2H3,(H,21,24)/t12-,13+/m1/s1
InChIKeyDVOITJYMQDZOTO-OLZOCXBDSA-N
MW345.37 g/mol
LogP1.67
Rot. Bonds5

About 2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide

2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 72931677) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID72931677
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(C)[C@H]1CN(Cc2ccc(C(F)(F)F)nc2)C[C@@H]1NC(=O)CO
InChIInChI=1S/C16H22F3N3O2/c1-10(2)12-7-22(8-13(12)21-15(24)9-23)6-11-3-4-14(20-5-11)16(17,18)19/h3-5,10,12-13,23H,6-9H2,1-2H3,(H,21,24)/t12-,13+/m1/s1
InChIKeyDVOITJYMQDZOTO-OLZOCXBDSA-N
XLogP1.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide (CID 72931677) is 2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide is CC(C)[C@H]1CN(Cc2ccc(C(F)(F)F)nc2)C[C@@H]1NC(=O)CO.
What is the InChIKey of 2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is DVOITJYMQDZOTO-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10(2)12-7-22(8-13(12)21-15(24)9-23)6-11-3-4-14(20-5-11)16(17,18)19/h3-5,10,12-13,23H,6-9H2,1-2H3,(H,21,24)/t12-,13+/m1/s1.
What are the key properties of 2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide?
2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72931677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).