6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine

C19H23N3O — CID 10244844

IUPAC6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
InChIInChI=1S/C19H23N3O/c20-16-5-7-19(21-13-16)23-18-6-4-14-8-10-22(17-2-1-3-17)11-9-15(14)12-18/h4-7,12-13,17H,1-3,8-11,20H2
InChIKeyQJPZPQMYLUNCSB-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.41
Rot. Bonds3

About 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine

6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine (PubChem CID 10244844) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine
PubChem CID10244844
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
InChIInChI=1S/C19H23N3O/c20-16-5-7-19(21-13-16)23-18-6-4-14-8-10-22(17-2-1-3-17)11-9-15(14)12-18/h4-7,12-13,17H,1-3,8-11,20H2
InChIKeyQJPZPQMYLUNCSB-UHFFFAOYSA-N
XLogP3.41
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]azetidin-2-one
CID 10361356
3-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-1H-pyridazin-6-one
CID 44540998
1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one
CID 10430564
6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
CID 10428924
7-(5-bromopyrimidin-2-yl)oxy-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
CID 68507873
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-2-carboxylic acid
CID 10246518
3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine
CID 142911888
6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine
CID 69018554
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyrazine-2-carboxamide
CID 68506286
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrimidine-2-carboxamide
CID 68506288
N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide
CID 10429809
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-(cyclopropylmethyl)pyrimidine-2-carboxamide
CID 68507429

Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine (CID 10244844) is 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine is Nc1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1.
What is the InChIKey of 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine?
The InChIKey is QJPZPQMYLUNCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-16-5-7-19(21-13-16)23-18-6-4-14-8-10-22(17-2-1-3-17)11-9-15(14)12-18/h4-7,12-13,17H,1-3,8-11,20H2.
What are the key properties of 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine?
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine has a molecular weight of 309.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 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]pyridin-3-amine is sourced from PubChem (CID 10244844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).