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

C23H23N5O2 — CID 661014

IUPACN-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-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)NCC)cc2c(=O)n3cccc(C)c3nc2n1Cc1ccc(C)cc1
InChIInChI=1S/C23H23N5O2/c1-4-25-22(29)17-12-18-21(26-20-15(3)6-5-11-27(20)23(18)30)28(19(17)24)13-16-9-7-14(2)8-10-16/h5-12,24H,4,13H2,1-3H3,(H,25,29)/b24-19+
InChIKeyPWIFMPSYRGQJEE-LYBHJNIJSA-N
MW401.47 g/mol
LogP2.54
Rot. Bonds4

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

N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 661014) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID661014
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-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)NCC)cc2c(=O)n3cccc(C)c3nc2n1Cc1ccc(C)cc1
InChIInChI=1S/C23H23N5O2/c1-4-25-22(29)17-12-18-21(26-20-15(3)6-5-11-27(20)23(18)30)28(19(17)24)13-16-9-7-14(2)8-10-16/h5-12,24H,4,13H2,1-3H3,(H,25,29)/b24-19+
InChIKeyPWIFMPSYRGQJEE-LYBHJNIJSA-N
XLogP2.54
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-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

2-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclopentylamide
CID 1077317
2-Imino-10-methyl-N-[2-(4-morpholinyl)ethyl]-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1311835
N-Benzyl-2-imino-1-(3-(4-morpholinyl)propyl)-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 652204
N-ethyl-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 660368
1-(2-(2-Hydroxyethoxy)ethyl)-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 2927731
2-Imino-1-(2-methoxyethyl)-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 2930384
6-imino-2-oxo-N-(1-phenylethyl)-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151369
N-Allyl-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 4370685
2-imino-10-methyl-5-oxo-1-phenethyl-N-(1-phenylethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 5221469
7-benzyl-6-imino-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1320906
[2-imino-5-oxo-1-benzyl(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-y l)]-N-(2-phenylethyl)carboxamide
CID 3711050
7-benzyl-6-imino-2-oxo-N-(3-phenylpropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145965928

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The IUPAC name of N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 661014) is N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-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 N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The canonical SMILES for N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-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)NCC)cc2c(=O)n3cccc(C)c3nc2n1Cc1ccc(C)cc1.
What is the InChIKey of N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is PWIFMPSYRGQJEE-LYBHJNIJSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-25-22(29)17-12-18-21(26-20-15(3)6-5-11-27(20)23(18)30)28(19(17)24)13-16-9-7-14(2)8-10-16/h5-12,24H,4,13H2,1-3H3,(H,25,29)/b24-19+.
What are the key properties of N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-imino-11-methyl-7-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 661014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).