1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one

C29H27N3O2 — CID 166180141

IUPAC1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one
SMILESO=C(CNC(Cn1ccccc1=O)c1ccccc1)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C29H27N3O2/c33-28-16-8-9-19-31(28)21-25(22-10-2-1-3-11-22)30-20-29(34)32-26-14-6-4-12-23(26)17-18-24-13-5-7-15-27(24)32/h1-16,19,25,30H,17-18,20-21H2
InChIKeyBTXGOEXOUJKXJC-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.64
Rot. Bonds6

About 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one

1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one (PubChem CID 166180141) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one
PubChem CID166180141
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one
SMILESO=C(CNC(Cn1ccccc1=O)c1ccccc1)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C29H27N3O2/c33-28-16-8-9-19-31(28)21-25(22-10-2-1-3-11-22)30-20-29(34)32-26-14-6-4-12-23(26)17-18-24-13-5-7-15-27(24)32/h1-16,19,25,30H,17-18,20-21H2
InChIKeyBTXGOEXOUJKXJC-UHFFFAOYSA-N
XLogP4.64
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one with MolForge

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Related Compounds

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 164786133
N-[(1R)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-3-carboxamide
CID 100735320
cis-(1R,3S)-2,2-dimethyl-3-[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066942
3-methyl-N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-2-carboxamide
CID 124847738
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704
4-[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]carbamoylamino]butanoic acid
CID 122013493
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 103945268
2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 60773689
ethyl 5-[[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxylate
CID 155964097
N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 124875352
1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
CID 146132758
1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone
CID 62304031

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one (CID 166180141) is 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one is O=C(CNC(Cn1ccccc1=O)c1ccccc1)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one?
The InChIKey is BTXGOEXOUJKXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c33-28-16-8-9-19-31(28)21-25(22-10-2-1-3-11-22)30-20-29(34)32-26-14-6-4-12-23(26)17-18-24-13-5-7-15-27(24)32/h1-16,19,25,30H,17-18,20-21H2.
What are the key properties of 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one?
1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one has a molecular weight of 449.55 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one is sourced from PubChem (CID 166180141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).