8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C30H30N4O2 — CID 127036345

IUPAC8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCCc1cc2c(cc1C1=CCN(C(=O)C3CNC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C30H30N4O2/c1-4-18-12-23-24(13-22(18)19-7-9-34(10-8-19)29(36)20-15-32-16-20)30(2,3)28-26(27(23)35)21-6-5-17(14-31)11-25(21)33-28/h5-7,11-13,20,32-33H,4,8-10,15-16H2,1-3H3
InChIKeyDRYQDXJJROOXLF-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.31
Rot. Bonds3

About 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 127036345) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID127036345
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCCc1cc2c(cc1C1=CCN(C(=O)C3CNC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C30H30N4O2/c1-4-18-12-23-24(13-22(18)19-7-9-34(10-8-19)29(36)20-15-32-16-20)30(2,3)28-26(27(23)35)21-6-5-17(14-31)11-25(21)33-28/h5-7,11-13,20,32-33H,4,8-10,15-16H2,1-3H3
InChIKeyDRYQDXJJROOXLF-UHFFFAOYSA-N
XLogP4.31
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile 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 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 127036345) is 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CCc1cc2c(cc1C1=CCN(C(=O)C3CNC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.
What is the InChIKey of 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is DRYQDXJJROOXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-4-18-12-23-24(13-22(18)19-7-9-34(10-8-19)29(36)20-15-32-16-20)30(2,3)28-26(27(23)35)21-6-5-17(14-31)11-25(21)33-28/h5-7,11-13,20,32-33H,4,8-10,15-16H2,1-3H3.
What are the key properties of 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 478.60 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(azetidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 127036345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).