3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide

C19H23N3O2 — CID 110026123

IUPAC3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
SMILESCC(O)(CC(=O)NC1CCN(c2ccccn2)C1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-19(24,15-7-3-2-4-8-15)13-18(23)21-16-10-12-22(14-16)17-9-5-6-11-20-17/h2-9,11,16,24H,10,12-14H2,1H3,(H,21,23)
InChIKeyKCGPFMHUTMMSQA-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.07
Rot. Bonds5

About 3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide

3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide (PubChem CID 110026123) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
PubChem CID110026123
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
SMILESCC(O)(CC(=O)NC1CCN(c2ccccn2)C1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-19(24,15-7-3-2-4-8-15)13-18(23)21-16-10-12-22(14-16)17-9-5-6-11-20-17/h2-9,11,16,24H,10,12-14H2,1H3,(H,21,23)
InChIKeyKCGPFMHUTMMSQA-UHFFFAOYSA-N
XLogP2.07
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 97241202
2-indol-1-yl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99697341
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide?
The IUPAC name of 3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide (CID 110026123) is 3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for 3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide?
The canonical SMILES for 3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide is CC(O)(CC(=O)NC1CCN(c2ccccn2)C1)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide?
The InChIKey is KCGPFMHUTMMSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(24,15-7-3-2-4-8-15)13-18(23)21-16-10-12-22(14-16)17-9-5-6-11-20-17/h2-9,11,16,24H,10,12-14H2,1H3,(H,21,23).
What are the key properties of 3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide?
3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide has a molecular weight of 325.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 110026123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).