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

C18H20N4O — CID 134790074

IUPAC1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one
SMILESO=C1CC2(CCN(Cc3ccccn3)C2)Nc2ccccc2N1
InChIInChI=1S/C18H20N4O/c23-17-11-18(21-16-7-2-1-6-15(16)20-17)8-10-22(13-18)12-14-5-3-4-9-19-14/h1-7,9,21H,8,10-13H2,(H,20,23)
InChIKeyJTCSXFAFVMPHOO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.48
Rot. Bonds2

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

1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one (PubChem CID 134790074) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one
PubChem CID134790074
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one
SMILESO=C1CC2(CCN(Cc3ccccn3)C2)Nc2ccccc2N1
InChIInChI=1S/C18H20N4O/c23-17-11-18(21-16-7-2-1-6-15(16)20-17)8-10-22(13-18)12-14-5-3-4-9-19-14/h1-7,9,21H,8,10-13H2,(H,20,23)
InChIKeyJTCSXFAFVMPHOO-UHFFFAOYSA-N
XLogP2.48
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375615
(5S)-3-propan-2-yl-7-(pyridin-2-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97017720
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
CID 134791894
1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078825
1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16669352
1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
CID 117007901
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
6,6-difluoro-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 121229504
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one (CID 134790074) is 1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one is O=C1CC2(CCN(Cc3ccccn3)C2)Nc2ccccc2N1.
What is the InChIKey of 1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one?
The InChIKey is JTCSXFAFVMPHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-17-11-18(21-16-7-2-1-6-15(16)20-17)8-10-22(13-18)12-14-5-3-4-9-19-14/h1-7,9,21H,8,10-13H2,(H,20,23).
What are the key properties of 1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one?
1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-2-ylmethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134790074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).