N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide

C24H30N4O2 — CID 134790120

IUPACN-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide
SMILESCC(=O)NCCC(=O)N1Cc2ccccc2CC2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C24H30N4O2/c1-19(29)26-11-8-23(30)28-16-22-7-3-2-6-21(22)13-24(18-28)9-12-27(17-24)15-20-5-4-10-25-14-20/h2-7,10,14H,8-9,11-13,15-18H2,1H3,(H,26,29)
InChIKeyAQTQGUYNROOTJR-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.38
Rot. Bonds5

About N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide

N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide (PubChem CID 134790120) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide
PubChem CID134790120
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide
SMILESCC(=O)NCCC(=O)N1Cc2ccccc2CC2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C24H30N4O2/c1-19(29)26-11-8-23(30)28-16-22-7-3-2-6-21(22)13-24(18-28)9-12-27(17-24)15-20-5-4-10-25-14-20/h2-7,10,14H,8-9,11-13,15-18H2,1H3,(H,26,29)
InChIKeyAQTQGUYNROOTJR-UHFFFAOYSA-N
XLogP2.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]butan-1-one
CID 134787226
N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide
CID 134787321
1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 155899632
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828
N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392794
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
(5S)-7-acetyl-2-ethyl-10-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360175
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132
(2S)-2-phenyl-1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]propan-1-one
CID 134789678
1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)propan-1-one
CID 155900592
1-[5-(pyridin-3-ylmethyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]propan-1-one
CID 110067136

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide?
The IUPAC name of N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide (CID 134790120) is N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide is CC(=O)NCCC(=O)N1Cc2ccccc2CC2(CCN(Cc3cccnc3)C2)C1.
What is the InChIKey of N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide?
The InChIKey is AQTQGUYNROOTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-19(29)26-11-8-23(30)28-16-22-7-3-2-6-21(22)13-24(18-28)9-12-27(17-24)15-20-5-4-10-25-14-20/h2-7,10,14H,8-9,11-13,15-18H2,1H3,(H,26,29).
What are the key properties of N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide?
N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]propyl]acetamide is sourced from PubChem (CID 134790120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).