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

C24H29N3O2 — CID 10430564

IUPAC1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
InChIInChI=1S/C24H29N3O2/c1-17-5-10-24(28)27(17)21-7-9-23(25-16-21)29-22-8-6-18-11-13-26(20-3-2-4-20)14-12-19(18)15-22/h6-9,15-17,20H,2-5,10-14H2,1H3
InChIKeyHBFIZPMIQSYORR-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.34
Rot. Bonds4

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

1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one (PubChem CID 10430564) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one
PubChem CID10430564
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
InChIInChI=1S/C24H29N3O2/c1-17-5-10-24(28)27(17)21-7-9-23(25-16-21)29-22-8-6-18-11-13-26(20-3-2-4-20)14-12-19(18)15-22/h6-9,15-17,20H,2-5,10-14H2,1H3
InChIKeyHBFIZPMIQSYORR-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]azetidin-2-one
CID 10361356
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-amine
CID 10244844
3-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-1H-pyridazin-6-one
CID 44540998
6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
CID 10428924
1-[6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]-3-pyridinyl]pyrrolidin-2-one
CID 11646257
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
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
6-(1-cyclobutylpiperidin-4-yl)oxy-1-(6-methoxy-3-pyridinyl)-3,4-dihydroquinolin-2-one
CID 66683944
N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide
CID 10429809
3-cyclobutyl-7-(6-piperidin-1-ylpyrazin-2-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine
CID 142911888

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one (CID 10430564) is 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one is CC1CCC(=O)N1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1.
What is the InChIKey of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one?
The InChIKey is HBFIZPMIQSYORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-5-10-24(28)27(17)21-7-9-23(25-16-21)29-22-8-6-18-11-13-26(20-3-2-4-20)14-12-19(18)15-22/h6-9,15-17,20H,2-5,10-14H2,1H3.
What are the key properties of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one?
1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 10430564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).