5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide

C24H20N4O3 — CID 50784358

IUPAC5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1)c1ccccc1
InChIInChI=1S/C24H20N4O3/c1-16(17-7-3-2-4-8-17)26-23(29)21-12-11-18(31-21)15-28-22-19(9-5-13-25-22)27-14-6-10-20(27)24(28)30/h2-14,16H,15H2,1H3,(H,26,29)
InChIKeyJJDZBAUOIJUIQT-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.78
Rot. Bonds5

About 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide

5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 50784358) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID50784358
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1)c1ccccc1
InChIInChI=1S/C24H20N4O3/c1-16(17-7-3-2-4-8-17)26-23(29)21-12-11-18(31-21)15-28-22-19(9-5-13-25-22)27-14-6-10-20(27)24(28)30/h2-14,16H,15H2,1H3,(H,26,29)
InChIKeyJJDZBAUOIJUIQT-UHFFFAOYSA-N
XLogP3.78
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide 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

N-[(2-methylphenyl)methyl]-5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]furan-2-carboxamide
CID 50784468
N-[(2-ethoxyphenyl)methyl]-5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]furan-2-carboxamide
CID 50784409
N-[3-(azepan-1-yl)propyl]-5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]furan-2-carboxamide
CID 50784386
5-[(2-oxo-1-pyridinyl)methyl]-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 134024480
3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92687284
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 134062990
N-[(2R)-butan-2-yl]-3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 92687266
5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39891375
N-[(4-ethoxyphenyl)methyl]-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 50757189
N-(3-chlorophenyl)-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 46274067
3-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 46328116
N-(4-bromo-3-methylphenyl)-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 46274088

Frequently Asked Questions

What is the IUPAC name of 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 50784358) is 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide is CC(NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1)c1ccccc1.
What is the InChIKey of 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is JJDZBAUOIJUIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-16(17-7-3-2-4-8-17)26-23(29)21-12-11-18(31-21)15-28-22-19(9-5-13-25-22)27-14-6-10-20(27)24(28)30/h2-14,16H,15H2,1H3,(H,26,29).
What are the key properties of 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 50784358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).