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

C24H20N4O3 — CID 50784468

IUPACN-[(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
SMILESCc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1
InChIInChI=1S/C24H20N4O3/c1-16-6-2-3-7-17(16)14-26-23(29)21-11-10-18(31-21)15-28-22-19(8-4-12-25-22)27-13-5-9-20(27)24(28)30/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyPBAUBWVDZQJHEX-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.53
Rot. Bonds5

About 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

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 (PubChem CID 50784468) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID50784468
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(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
SMILESCc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1
InChIInChI=1S/C24H20N4O3/c1-16-6-2-3-7-17(16)14-26-23(29)21-11-10-18(31-21)15-28-22-19(8-4-12-25-22)27-13-5-9-20(27)24(28)30/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyPBAUBWVDZQJHEX-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-(1,3-benzodioxol-5-ylmethyl)-3-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 46328091
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
N-[(4-ethoxy-3-methoxyphenyl)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 22553602
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
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
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
N-[2-(diethylamino)ethyl]-3-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 46328097
N-[(3-chlorophenyl)methyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 22553394

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1.
What is the InChIKey of 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?
The InChIKey is PBAUBWVDZQJHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-16-6-2-3-7-17(16)14-26-23(29)21-11-10-18(31-21)15-28-22-19(8-4-12-25-22)27-13-5-9-20(27)24(28)30/h2-13H,14-15H2,1H3,(H,26,29).
What are the key properties of 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?
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 has a molecular weight of 412.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 50784468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).