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

C34H33N7O2 — CID 23299895

IUPAC9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide
SMILESCc1cccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccccc6nc45)c3nc12
InChIInChI=1S/C34H33N7O2/c1-22-10-5-15-27-30(22)40-32-24(12-7-17-29(32)38-27)34(43)36-19-9-21-41(2)20-8-18-35-33(42)23-11-6-16-28-31(23)39-26-14-4-3-13-25(26)37-28/h3-7,10-17H,8-9,18-21H2,1-2H3,(H,35,42)(H,36,43)
InChIKeySFNVWNSJFJQBBK-UHFFFAOYSA-N
MW571.69 g/mol
LogP5.06
Rot. Bonds10

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

9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide (PubChem CID 23299895) has the molecular formula C34H33N7O2 and a molecular weight of 571.69 g/mol. Its IUPAC name is 9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide.

Molecular Properties

Compound Name9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide
PubChem CID23299895
Molecular FormulaC34H33N7O2
Molecular Weight571.69 g/mol
Exact Mass571.27
IUPAC Name9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide
SMILESCc1cccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccccc6nc45)c3nc12
InChIInChI=1S/C34H33N7O2/c1-22-10-5-15-27-30(22)40-32-24(12-7-17-29(32)38-27)34(43)36-19-9-21-41(2)20-8-18-35-33(42)23-11-6-16-28-31(23)39-26-14-4-3-13-25(26)37-28/h3-7,10-17H,8-9,18-21H2,1-2H3,(H,35,42)(H,36,43)
InChIKeySFNVWNSJFJQBBK-UHFFFAOYSA-N
XLogP5.06
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.69
LogP ≤ 55.06
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 9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide?
The IUPAC name of 9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide (CID 23299895) is 9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide is Cc1cccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccccc6nc45)c3nc12.
What is the InChIKey of 9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide?
The InChIKey is SFNVWNSJFJQBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N7O2/c1-22-10-5-15-27-30(22)40-32-24(12-7-17-29(32)38-27)34(43)36-19-9-21-41(2)20-8-18-35-33(42)23-11-6-16-28-31(23)39-26-14-4-3-13-25(26)37-28/h3-7,10-17H,8-9,18-21H2,1-2H3,(H,35,42)(H,36,43).
What are the key properties of 9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide?
9-methyl-N-[3-[methyl-[3-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide has a molecular weight of 571.69 g/mol, XLogP of 5.06, 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-(phenazine-1-carbonylamino)propyl]amino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 23299895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).