2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C14H21N3O2 — CID 72894294

IUPAC2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@@H]1CN(CC(=O)NCc2ccccn2)C[C@]1(C)O
InChIInChI=1S/C14H21N3O2/c1-11-8-17(10-14(11,2)19)9-13(18)16-7-12-5-3-4-6-15-12/h3-6,11,19H,7-10H2,1-2H3,(H,16,18)/t11-,14+/m1/s1
InChIKeyCVOXQIRXSFXBQB-RISCZKNCSA-N
MW263.34 g/mol
LogP0.40
Rot. Bonds4

About 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 72894294) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID72894294
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@@H]1CN(CC(=O)NCc2ccccn2)C[C@]1(C)O
InChIInChI=1S/C14H21N3O2/c1-11-8-17(10-14(11,2)19)9-13(18)16-7-12-5-3-4-6-15-12/h3-6,11,19H,7-10H2,1-2H3,(H,16,18)/t11-,14+/m1/s1
InChIKeyCVOXQIRXSFXBQB-RISCZKNCSA-N
XLogP0.40
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
(3S,4S)-1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72870323
2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74242130
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide
CID 72905576
2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97214559
2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626413
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56803059
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95311404
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92626481

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 72894294) is 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is C[C@@H]1CN(CC(=O)NCc2ccccn2)C[C@]1(C)O.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is CVOXQIRXSFXBQB-RISCZKNCSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-8-17(10-14(11,2)19)9-13(18)16-7-12-5-3-4-6-15-12/h3-6,11,19H,7-10H2,1-2H3,(H,16,18)/t11-,14+/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 72894294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).