3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide

C22H23N3O — CID 69182070

IUPAC3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)c1
InChIInChI=1S/C22H23N3O/c23-15-16-3-1-4-19(13-16)22(26)24-20-8-7-17-9-11-25(21-5-2-6-21)12-10-18(17)14-20/h1,3-4,7-8,13-14,21H,2,5-6,9-12H2,(H,24,26)
InChIKeyOEVDIXUPASCTED-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.76
Rot. Bonds3

About 3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide

3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide (PubChem CID 69182070) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide
PubChem CID69182070
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)c1
InChIInChI=1S/C22H23N3O/c23-15-16-3-1-4-19(13-16)22(26)24-20-8-7-17-9-11-25(21-5-2-6-21)12-10-18(17)14-20/h1,3-4,7-8,13-14,21H,2,5-6,9-12H2,(H,24,26)
InChIKeyOEVDIXUPASCTED-UHFFFAOYSA-N
XLogP3.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2635737
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)thiophene-3-carboxamide
CID 11472860
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide
CID 155538714
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide
CID 69180077
3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide
CID 58940727
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,2,5-oxadiazole-3-carboxamide
CID 11738472
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride
CID 44529387
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide
CID 11258531
N-(3-cyanophenyl)-2-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 66654833
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzonitrile
CID 58940734

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide?
The IUPAC name of 3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide (CID 69182070) is 3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide?
The canonical SMILES for 3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide is N#Cc1cccc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)c1.
What is the InChIKey of 3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide?
The InChIKey is OEVDIXUPASCTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c23-15-16-3-1-4-19(13-16)22(26)24-20-8-7-17-9-11-25(21-5-2-6-21)12-10-18(17)14-20/h1,3-4,7-8,13-14,21H,2,5-6,9-12H2,(H,24,26).
What are the key properties of 3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide?
3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide has a molecular weight of 345.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide is sourced from PubChem (CID 69182070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).