6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide

C20H24N4O2 — CID 68504529

IUPAC6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nn1
InChIInChI=1S/C20H24N4O2/c1-21-20(25)18-7-8-19(23-22-18)26-17-6-5-14-9-11-24(16-3-2-4-16)12-10-15(14)13-17/h5-8,13,16H,2-4,9-12H2,1H3,(H,21,25)
InChIKeyVBSPBTHOEWKBCA-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.58
Rot. Bonds4

About 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide

6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide (PubChem CID 68504529) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide
PubChem CID68504529
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nn1
InChIInChI=1S/C20H24N4O2/c1-21-20(25)18-7-8-19(23-22-18)26-17-6-5-14-9-11-24(16-3-2-4-16)12-10-15(14)13-17/h5-8,13,16H,2-4,9-12H2,1H3,(H,21,25)
InChIKeyVBSPBTHOEWKBCA-UHFFFAOYSA-N
XLogP2.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide (CID 68504529) is 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nn1.
What is the InChIKey of 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide?
The InChIKey is VBSPBTHOEWKBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-21-20(25)18-7-8-19(23-22-18)26-17-6-5-14-9-11-24(16-3-2-4-16)12-10-15(14)13-17/h5-8,13,16H,2-4,9-12H2,1H3,(H,21,25).
What are the key properties of 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide?
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridazine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 68504529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).