6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

C24H25N5O3 — CID 3938438

About 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 3938438) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

• Compound Name: 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
• PubChem CID: 3938438
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
• SMILES: [H]/N=c1\c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc2n1C(C)C
• InChI: InChI=1S/C24H25N5O3/c1-14(2)29-20(25)18(23(30)26-13-16-7-9-17(32-4)10-8-16)12-19-22(29)27-21-15(3)6-5-11-28(21)24(19)31/h5-12,14,25H,13H2,1-4H3,(H,26,30)/b25-20+
• InChIKey: UGSBVYYTXMDTHR-LKUDQCMESA-N
• XLogP: 2.96
• TPSA: 101.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?

The IUPAC name of 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 3938438) is 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

What is the SMILES notation for 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?

The canonical SMILES for 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is [H]/N=c1\c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc2n1C(C)C.

What is the InChIKey of 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?

The InChIKey is UGSBVYYTXMDTHR-LKUDQCMESA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14(2)29-20(25)18(23(30)26-13-16-7-9-17(32-4)10-8-16)12-19-22(29)27-21-15(3)6-5-11-28(21)24(19)31/h5-12,14,25H,13H2,1-4H3,(H,26,30)/b25-20+.

What are the key properties of 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?

6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-imino-N-[(4-methoxyphenyl)methyl]-11-methyl-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 3938438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).