N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide

C22H24BrN3O5 — CID 87540515

IUPACN-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCOc1ccc(C2CC(=O)N(CC(=O)Nc3cccc(Br)n3)C2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C22H24BrN3O5/c1-29-17-6-5-14(9-18(17)31-16-7-8-30-13-16)15-10-22(28)26(11-15)12-21(27)25-20-4-2-3-19(23)24-20/h2-6,9,15-16H,7-8,10-13H2,1H3,(H,24,25,27)/t15?,16-/m1/s1
InChIKeyMNPAPLDKXRZUSG-OEMAIJDKSA-N
MW490.35 g/mol
LogP2.97
Rot. Bonds7

About N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide

N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 87540515) has the molecular formula C22H24BrN3O5 and a molecular weight of 490.35 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
PubChem CID87540515
Molecular FormulaC22H24BrN3O5
Molecular Weight490.35 g/mol
Exact Mass489.09
IUPAC NameN-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCOc1ccc(C2CC(=O)N(CC(=O)Nc3cccc(Br)n3)C2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C22H24BrN3O5/c1-29-17-6-5-14(9-18(17)31-16-7-8-30-13-16)15-10-22(28)26(11-15)12-21(27)25-20-4-2-3-19(23)24-20/h2-6,9,15-16H,7-8,10-13H2,1H3,(H,24,25,27)/t15?,16-/m1/s1
InChIKeyMNPAPLDKXRZUSG-OEMAIJDKSA-N
XLogP2.97
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 10137168
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 68685351
N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 68682136
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 11190035
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide
CID 11561428
N-(6-amino-2-pyridinyl)-2-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
CID 10295932
2-[(4S)-4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(4-propyl-3,4-dihydro-2H-azepin-5-yl)acetamide
CID 143219866
N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 11476245
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 11524672
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 11698011
N-[2-(benzenesulfonyl)thiophen-3-yl]-2-[4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 69052924
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 11785249

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide (CID 87540515) is N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide is COc1ccc(C2CC(=O)N(CC(=O)Nc3cccc(Br)n3)C2)cc1O[C@@H]1CCOC1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is MNPAPLDKXRZUSG-OEMAIJDKSA-N. The full InChI is InChI=1S/C22H24BrN3O5/c1-29-17-6-5-14(9-18(17)31-16-7-8-30-13-16)15-10-22(28)26(11-15)12-21(27)25-20-4-2-3-19(23)24-20/h2-6,9,15-16H,7-8,10-13H2,1H3,(H,24,25,27)/t15?,16-/m1/s1.
What are the key properties of N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 490.35 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 87540515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).