[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C24H29N3O2 — CID 69094686

IUPAC[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1)N1CCCC1
InChIInChI=1S/C24H29N3O2/c28-24(27-12-1-2-13-27)20-7-9-23(25-17-20)29-22-8-6-18-10-14-26(21-4-3-5-21)15-11-19(18)16-22/h6-9,16-17,21H,1-5,10-15H2
InChIKeyVYCUEPAPTLTQNB-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.06
Rot. Bonds4

About [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 69094686) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID69094686
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1)N1CCCC1
InChIInChI=1S/C24H29N3O2/c28-24(27-12-1-2-13-27)20-7-9-23(25-17-20)29-22-8-6-18-10-14-26(21-4-3-5-21)15-11-19(18)16-22/h6-9,16-17,21H,1-5,10-15H2
InChIKeyVYCUEPAPTLTQNB-UHFFFAOYSA-N
XLogP4.06
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 69094686) is [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1)N1CCCC1.
What is the InChIKey of [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is VYCUEPAPTLTQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-24(27-12-1-2-13-27)20-7-9-23(25-17-20)29-22-8-6-18-10-14-26(21-4-3-5-21)15-11-19(18)16-22/h6-9,16-17,21H,1-5,10-15H2.
What are the key properties of [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 391.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 69094686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).