N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide

C22H25N3O3 — CID 126435573

IUPACN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide
SMILESO=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(-c2ncccc2O)c1
InChIInChI=1S/C22H25N3O3/c26-19-9-4-10-23-21(19)16-5-3-6-17(12-16)22(28)24-13-15-11-20(27)25(14-15)18-7-1-2-8-18/h3-6,9-10,12,15,18,26H,1-2,7-8,11,13-14H2,(H,24,28)/t15-/m1/s1
InChIKeyLGBSUAXLLFZDSG-OAHLLOKOSA-N
MW379.46 g/mol
LogP2.98
Rot. Bonds5

About N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide

N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide (PubChem CID 126435573) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide
PubChem CID126435573
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide
SMILESO=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(-c2ncccc2O)c1
InChIInChI=1S/C22H25N3O3/c26-19-9-4-10-23-21(19)16-5-3-6-17(12-16)22(28)24-13-15-11-20(27)25(14-15)18-7-1-2-8-18/h3-6,9-10,12,15,18,26H,1-2,7-8,11,13-14H2,(H,24,28)/t15-/m1/s1
InChIKeyLGBSUAXLLFZDSG-OAHLLOKOSA-N
XLogP2.98
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-aminopyrazin-2-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 126427045
4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 126432710
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120
3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide
CID 53217910
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95712406
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 172880485
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
CID 125174216
3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea
CID 126435001
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]pyridine-3-carboxamide
CID 131890985
N-[1-[3-(3-hydroxy-2-pyridinyl)benzoyl]piperidin-3-yl]acetamide
CID 121494225
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
4-cyclopentyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 126771526

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide?
The IUPAC name of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide (CID 126435573) is N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide.
What is the SMILES notation for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide?
The canonical SMILES for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide is O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(-c2ncccc2O)c1.
What is the InChIKey of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide?
The InChIKey is LGBSUAXLLFZDSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-19-9-4-10-23-21(19)16-5-3-6-17(12-16)22(28)24-13-15-11-20(27)25(14-15)18-7-1-2-8-18/h3-6,9-10,12,15,18,26H,1-2,7-8,11,13-14H2,(H,24,28)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide?
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-hydroxy-2-pyridinyl)benzamide is sourced from PubChem (CID 126435573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).