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

C24H25N5O3 — CID 2930384

IUPAC6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-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)NCCc2ccccc2)cc2c(=O)n3cccc(C)c3nc2n1CCOC
InChIInChI=1S/C24H25N5O3/c1-16-7-6-12-29-21(16)27-22-19(24(29)31)15-18(20(25)28(22)13-14-32-2)23(30)26-11-10-17-8-4-3-5-9-17/h3-9,12,15,25H,10-11,13-14H2,1-2H3,(H,26,30)/b25-20+
InChIKeyPYNNNONDDMQAQH-LKUDQCMESA-N
MW431.50 g/mol
LogP2.06
Rot. Bonds7

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

6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 2930384) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID2930384
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-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)NCCc2ccccc2)cc2c(=O)n3cccc(C)c3nc2n1CCOC
InChIInChI=1S/C24H25N5O3/c1-16-7-6-12-29-21(16)27-22-19(24(29)31)15-18(20(25)28(22)13-14-32-2)23(30)26-11-10-17-8-4-3-5-9-17/h3-9,12,15,25H,10-11,13-14H2,1-2H3,(H,26,30)/b25-20+
InChIKeyPYNNNONDDMQAQH-LKUDQCMESA-N
XLogP2.06
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-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-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 2930384) is 6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-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-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-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-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-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)NCCc2ccccc2)cc2c(=O)n3cccc(C)c3nc2n1CCOC.
What is the InChIKey of 6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is PYNNNONDDMQAQH-LKUDQCMESA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-7-6-12-29-21(16)27-22-19(24(29)31)15-18(20(25)28(22)13-14-32-2)23(30)26-11-10-17-8-4-3-5-9-17/h3-9,12,15,25H,10-11,13-14H2,1-2H3,(H,26,30)/b25-20+.
What are the key properties of 6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-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 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-7-(2-methoxyethyl)-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 2930384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).