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

C22H27N3O2 — CID 10428924

IUPAC6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)nc1
InChIInChI=1S/C22H27N3O2/c1-23-22(26)18-7-9-21(24-15-18)27-20-8-6-16-10-12-25(13-11-17(16)14-20)19-4-2-3-5-19/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,23,26)
InChIKeyNNOXITASPLLHMA-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.58
Rot. Bonds4

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

6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide (PubChem CID 10428924) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
PubChem CID10428924
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)nc1
InChIInChI=1S/C22H27N3O2/c1-23-22(26)18-7-9-21(24-15-18)27-20-8-6-16-10-12-25(13-11-17(16)14-20)19-4-2-3-5-19/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,23,26)
InChIKeyNNOXITASPLLHMA-UHFFFAOYSA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

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-methylpyrimidine-2-carboxamide
CID 68506288
6-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylpyridine-3-carboxamide
CID 11494330
6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 58940703
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine
CID 10244844
N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide
CID 11588670
1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]azetidin-2-one
CID 10361356
1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one
CID 10430564
3-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-1H-pyridazin-6-one
CID 44540998
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-2-carboxylic acid
CID 10246518
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyrazine-2-carboxamide
CID 68506286
N-methyl-6-[[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]oxy]pyridine-3-carboxamide;hydrochloride
CID 69084721

Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide (CID 10428924) is 6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)nc1.
What is the InChIKey of 6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide?
The InChIKey is NNOXITASPLLHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23-22(26)18-7-9-21(24-15-18)27-20-8-6-16-10-12-25(13-11-17(16)14-20)19-4-2-3-5-19/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,23,26).
What are the key properties of 6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide?
6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 10428924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).