N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide

C37H39N7O2 — CID 10531840

IUPACN-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide
SMILESCc1ccc(C)c2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(C)ccc(C)c6nc45)cccc3nc12
InChIInChI=1S/C37H39N7O2/c1-22-14-16-24(3)32-30(22)40-28-12-6-10-26(34(28)42-32)36(45)38-18-8-20-44(5)21-9-19-39-37(46)27-11-7-13-29-35(27)43-33-25(4)17-15-23(2)31(33)41-29/h6-7,10-17H,8-9,18-21H2,1-5H3,(H,38,45)(H,39,46)
InChIKeyZLTPHPGWMBLRMS-UHFFFAOYSA-N
MW613.77 g/mol
LogP5.98
Rot. Bonds10

About N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide

N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide (PubChem CID 10531840) has the molecular formula C37H39N7O2 and a molecular weight of 613.77 g/mol. Its IUPAC name is N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide
PubChem CID10531840
Molecular FormulaC37H39N7O2
Molecular Weight613.77 g/mol
Exact Mass613.32
IUPAC NameN-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide
SMILESCc1ccc(C)c2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(C)ccc(C)c6nc45)cccc3nc12
InChIInChI=1S/C37H39N7O2/c1-22-14-16-24(3)32-30(22)40-28-12-6-10-26(34(28)42-32)36(45)38-18-8-20-44(5)21-9-19-39-37(46)27-11-7-13-29-35(27)43-33-25(4)17-15-23(2)31(33)41-29/h6-7,10-17H,8-9,18-21H2,1-5H3,(H,38,45)(H,39,46)
InChIKeyZLTPHPGWMBLRMS-UHFFFAOYSA-N
XLogP5.98
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.77
LogP ≤ 55.98
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide?
The IUPAC name of N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide (CID 10531840) is N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide.
What is the SMILES notation for N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide?
The canonical SMILES for N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide is Cc1ccc(C)c2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(C)ccc(C)c6nc45)cccc3nc12.
What is the InChIKey of N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide?
The InChIKey is ZLTPHPGWMBLRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N7O2/c1-22-14-16-24(3)32-30(22)40-28-12-6-10-26(34(28)42-32)36(45)38-18-8-20-44(5)21-9-19-39-37(46)27-11-7-13-29-35(27)43-33-25(4)17-15-23(2)31(33)41-29/h6-7,10-17H,8-9,18-21H2,1-5H3,(H,38,45)(H,39,46).
What are the key properties of N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide?
N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide has a molecular weight of 613.77 g/mol, XLogP of 5.98, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide is sourced from PubChem (CID 10531840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).