[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

C27H25N3O4 — CID 29405400

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
SMILESN#CC1(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)CCCC1
InChIInChI=1S/C27H25N3O4/c28-17-27(12-3-4-13-27)30-23(31)16-34-26(32)24-20-9-1-2-11-22(20)29-25-18(7-5-10-21(24)25)15-19-8-6-14-33-19/h1-2,6,8-9,11,14-15H,3-5,7,10,12-13,16H2,(H,30,31)/b18-15+
InChIKeyWUDBFBYOWXDCJN-OBGWFSINSA-N
MW455.51 g/mol
LogP4.81
Rot. Bonds5

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 29405400) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID29405400
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
SMILESN#CC1(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)CCCC1
InChIInChI=1S/C27H25N3O4/c28-17-27(12-3-4-13-27)30-23(31)16-34-26(32)24-20-9-1-2-11-22(20)29-25-18(7-5-10-21(24)25)15-19-8-6-14-33-19/h1-2,6,8-9,11,14-15H,3-5,7,10,12-13,16H2,(H,30,31)/b18-15+
InChIKeyWUDBFBYOWXDCJN-OBGWFSINSA-N
XLogP4.81
TPSA105.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(methylamino)-2-oxoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7959870
[2-(tert-butylamino)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 6245326
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4857742
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4216263
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8575528
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 98416291
[(1R)-1-cyanoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7240877
1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4780233
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8575531
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 6082902
2-phenoxyethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 5010246
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7240873

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (CID 29405400) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is N#CC1(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)CCCC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is WUDBFBYOWXDCJN-OBGWFSINSA-N. The full InChI is InChI=1S/C27H25N3O4/c28-17-27(12-3-4-13-27)30-23(31)16-34-26(32)24-20-9-1-2-11-22(20)29-25-18(7-5-10-21(24)25)15-19-8-6-14-33-19/h1-2,6,8-9,11,14-15H,3-5,7,10,12-13,16H2,(H,30,31)/b18-15+.
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 455.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 29405400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).