9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide

C35H35N7O2 — CID 10054059

IUPAC9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
SMILESCc1cccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12
InChIInChI=1S/C35H35N7O2/c1-22-10-4-14-26-30(22)40-32-24(12-6-16-28(32)38-26)34(43)36-18-8-20-42(3)21-9-19-37-35(44)25-13-7-17-29-33(25)41-31-23(2)11-5-15-27(31)39-29/h4-7,10-17H,8-9,18-21H2,1-3H3,(H,36,43)(H,37,44)
InChIKeyLABIOTOTDTUUOR-UHFFFAOYSA-N
MW585.71 g/mol
LogP5.37
Rot. Bonds10

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

9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide (PubChem CID 10054059) has the molecular formula C35H35N7O2 and a molecular weight of 585.71 g/mol. Its IUPAC name is 9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide.

Molecular Properties

Compound Name9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
PubChem CID10054059
Molecular FormulaC35H35N7O2
Molecular Weight585.71 g/mol
Exact Mass585.29
IUPAC Name9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
SMILESCc1cccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12
InChIInChI=1S/C35H35N7O2/c1-22-10-4-14-26-30(22)40-32-24(12-6-16-28(32)38-26)34(43)36-18-8-20-42(3)21-9-19-37-35(44)25-13-7-17-29-33(25)41-31-23(2)11-5-15-27(31)39-29/h4-7,10-17H,8-9,18-21H2,1-3H3,(H,36,43)(H,37,44)
InChIKeyLABIOTOTDTUUOR-UHFFFAOYSA-N
XLogP5.37
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The IUPAC name of 9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide (CID 10054059) is 9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide is Cc1cccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12.
What is the InChIKey of 9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
The InChIKey is LABIOTOTDTUUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O2/c1-22-10-4-14-26-30(22)40-32-24(12-6-16-28(32)38-26)34(43)36-18-8-20-42(3)21-9-19-37-35(44)25-13-7-17-29-33(25)41-31-23(2)11-5-15-27(31)39-29/h4-7,10-17H,8-9,18-21H2,1-3H3,(H,36,43)(H,37,44).
What are the key properties of 9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide?
9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10054059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).