8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one

C20H23N3O2 — CID 110235924

IUPAC8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
SMILESCOc1ccc2c(c1)C(=O)NC1(CC2)CCN(Cc2ccccn2)C1
InChIInChI=1S/C20H23N3O2/c1-25-17-6-5-15-7-8-20(22-19(24)18(15)12-17)9-11-23(14-20)13-16-4-2-3-10-21-16/h2-6,10,12H,7-9,11,13-14H2,1H3,(H,22,24)
InChIKeyYTPWZYKNYVHYSG-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.41
Rot. Bonds3

About 8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one

8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one (PubChem CID 110235924) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
PubChem CID110235924
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
SMILESCOc1ccc2c(c1)C(=O)NC1(CC2)CCN(Cc2ccccn2)C1
InChIInChI=1S/C20H23N3O2/c1-25-17-6-5-15-7-8-20(22-19(24)18(15)12-17)9-11-23(14-20)13-16-4-2-3-10-21-16/h2-6,10,12H,7-9,11,13-14H2,1H3,(H,22,24)
InChIKeyYTPWZYKNYVHYSG-UHFFFAOYSA-N
XLogP2.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Ave-0118
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N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
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6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(2-methylpyridin-4-yl)phenyl)imidazolidine-2,4-dione
CID 46933694
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-2-yl)phenyl)imidazolidine-2,4-dione
CID 49865044
ROCK inhibitor-2
CID 51003130
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-((6-((1-methylpiperidin-4-yl)methyl)pyridin-3-yl)ethynyl)imidazolidine-2,4-dione
CID 52944849
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethylpyridine-2-carboxamide
CID 68506820
7-fluoro-3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498266
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-pyrrolecarboxamide
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3-methoxy-N-(pyridin-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one?
The IUPAC name of 8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one (CID 110235924) is 8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for 8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one?
The canonical SMILES for 8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one is COc1ccc2c(c1)C(=O)NC1(CC2)CCN(Cc2ccccn2)C1.
What is the InChIKey of 8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one?
The InChIKey is YTPWZYKNYVHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-17-6-5-15-7-8-20(22-19(24)18(15)12-17)9-11-23(14-20)13-16-4-2-3-10-21-16/h2-6,10,12H,7-9,11,13-14H2,1H3,(H,22,24).
What are the key properties of 8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one?
8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one has a molecular weight of 337.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1'-(pyridin-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 110235924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).