9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide

C36H36N6O2 — CID 10415911

IUPAC9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
SMILESCc1cccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12
InChIInChI=1S/C36H36N6O2/c1-23-10-4-12-25-22-26-13-6-14-27(33(26)40-31(23)25)35(43)37-18-8-20-42(3)21-9-19-38-36(44)28-15-7-17-30-34(28)41-32-24(2)11-5-16-29(32)39-30/h4-7,10-17,22H,8-9,18-21H2,1-3H3,(H,37,43)(H,38,44)
InChIKeyCTMSJIQYLPMIBP-UHFFFAOYSA-N
MW584.72 g/mol
LogP5.97
Rot. Bonds10

About 9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide

9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide (PubChem CID 10415911) has the molecular formula C36H36N6O2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide.

Molecular Properties

Compound Name9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
PubChem CID10415911
Molecular FormulaC36H36N6O2
Molecular Weight584.72 g/mol
Exact Mass584.29
IUPAC Name9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
SMILESCc1cccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12
InChIInChI=1S/C36H36N6O2/c1-23-10-4-12-25-22-26-13-6-14-27(33(26)40-31(23)25)35(43)37-18-8-20-42(3)21-9-19-38-36(44)28-15-7-17-30-34(28)41-32-24(2)11-5-16-29(32)39-30/h4-7,10-17,22H,8-9,18-21H2,1-3H3,(H,37,43)(H,38,44)
InChIKeyCTMSJIQYLPMIBP-UHFFFAOYSA-N
XLogP5.97
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The IUPAC name of 9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide (CID 10415911) is 9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide is Cc1cccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12.
What is the InChIKey of 9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The InChIKey is CTMSJIQYLPMIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N6O2/c1-23-10-4-12-25-22-26-13-6-14-27(33(26)40-31(23)25)35(43)37-18-8-20-42(3)21-9-19-38-36(44)28-15-7-17-30-34(28)41-32-24(2)11-5-16-29(32)39-30/h4-7,10-17,22H,8-9,18-21H2,1-3H3,(H,37,43)(H,38,44).
What are the key properties of 9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide has a molecular weight of 584.72 g/mol, XLogP of 5.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[3-[methyl-[3-[(5-methylacridine-4-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10415911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).