3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide

C19H23N3O3S — CID 42247455

IUPAC3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide
SMILESO=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NCCOc1cccnc1
InChIInChI=1S/C19H23N3O3S/c23-17(21-10-11-25-15-3-1-9-20-14-15)5-7-19(8-6-18(24)22-19)13-16-4-2-12-26-16/h1-4,9,12,14H,5-8,10-11,13H2,(H,21,23)(H,22,24)/t19-/m0/s1
InChIKeyWTZRTAFUYWAOHA-IBGZPJMESA-N
MW373.48 g/mol
LogP2.31
Rot. Bonds9

About 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide

3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide (PubChem CID 42247455) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide
PubChem CID42247455
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide
SMILESO=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NCCOc1cccnc1
InChIInChI=1S/C19H23N3O3S/c23-17(21-10-11-25-15-3-1-9-20-14-15)5-7-19(8-6-18(24)22-19)13-16-4-2-12-26-16/h1-4,9,12,14H,5-8,10-11,13H2,(H,21,23)(H,22,24)/t19-/m0/s1
InChIKeyWTZRTAFUYWAOHA-IBGZPJMESA-N
XLogP2.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
CID 45228319
N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
CID 45221734
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 42368132
5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 45189370
3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837112
2-(1-hydroxycyclopentyl)-N-(2-pyridin-3-yloxyethyl)acetamide
CID 111538743
2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide
CID 111538742
3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 26341331
3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide
CID 26354431
N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42424462
3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 45251218
N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45219444

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide?
The IUPAC name of 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide (CID 42247455) is 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide.
What is the SMILES notation for 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide?
The canonical SMILES for 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide is O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NCCOc1cccnc1.
What is the InChIKey of 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide?
The InChIKey is WTZRTAFUYWAOHA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-17(21-10-11-25-15-3-1-9-20-14-15)5-7-19(8-6-18(24)22-19)13-16-4-2-12-26-16/h1-4,9,12,14H,5-8,10-11,13H2,(H,21,23)(H,22,24)/t19-/m0/s1.
What are the key properties of 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide?
3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide has a molecular weight of 373.48 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide is sourced from PubChem (CID 42247455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).