4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide

C23H23N3O2 — CID 90928467

IUPAC4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1Oc1ccc2c(c1)CCN(Cc1ccccc1)CC2
InChIInChI=1S/C23H23N3O2/c24-23(27)21-15-25-11-8-22(21)28-20-7-6-18-9-12-26(13-10-19(18)14-20)16-17-4-2-1-3-5-17/h1-8,11,14-15H,9-10,12-13,16H2,(H2,24,27)
InChIKeyPFHCRKGOWFQVMD-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.57
Rot. Bonds5

About 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide

4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide (PubChem CID 90928467) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide
PubChem CID90928467
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1Oc1ccc2c(c1)CCN(Cc1ccccc1)CC2
InChIInChI=1S/C23H23N3O2/c24-23(27)21-15-25-11-8-22(21)28-20-7-6-18-9-12-26(13-10-19(18)14-20)16-17-4-2-1-3-5-17/h1-8,11,14-15H,9-10,12-13,16H2,(H2,24,27)
InChIKeyPFHCRKGOWFQVMD-UHFFFAOYSA-N
XLogP3.57
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromophenoxy)pyridine-3-carboxamide
CID 147228091
3-benzyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 10429768
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
1'-benzyl-5-(4-phenoxyphenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,4'-piperidine]-3-carboxamide
CID 140906383
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 9226254
3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride
CID 67160044
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 71560809
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
2-[4-[3-(4-benzylpiperazin-1-yl)propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432959
2-[2-hydroxy-3-[6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 175858672

Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide?
The IUPAC name of 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide (CID 90928467) is 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide?
The canonical SMILES for 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide is NC(=O)c1cnccc1Oc1ccc2c(c1)CCN(Cc1ccccc1)CC2.
What is the InChIKey of 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide?
The InChIKey is PFHCRKGOWFQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-23(27)21-15-25-11-8-22(21)28-20-7-6-18-9-12-26(13-10-19(18)14-20)16-17-4-2-1-3-5-17/h1-8,11,14-15H,9-10,12-13,16H2,(H2,24,27).
What are the key properties of 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide?
4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide is sourced from PubChem (CID 90928467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).