N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide

C37H41N9O — CID 163495440

IUPACN-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide
SMILESCc1cccc2nc3cccc(C(=O)NCCN(C)CCCN(C)CC/N=C(\N)c4cccc5nc6cccc(C)c6nc45)c3nc12
InChIInChI=1S/C37H41N9O/c1-24-10-5-14-28-32(24)43-34-26(12-7-16-30(34)41-28)36(38)39-18-22-45(3)20-9-21-46(4)23-19-40-37(47)27-13-8-17-31-35(27)44-33-25(2)11-6-15-29(33)42-31/h5-8,10-17H,9,18-23H2,1-4H3,(H2,38,39)(H,40,47)
InChIKeyCQHGUDFDCLJSQV-UHFFFAOYSA-N
MW627.80 g/mol
LogP4.89
Rot. Bonds12

About N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide

N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide (PubChem CID 163495440) has the molecular formula C37H41N9O and a molecular weight of 627.80 g/mol. Its IUPAC name is N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide
PubChem CID163495440
Molecular FormulaC37H41N9O
Molecular Weight627.80 g/mol
Exact Mass627.34
IUPAC NameN-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide
SMILESCc1cccc2nc3cccc(C(=O)NCCN(C)CCCN(C)CC/N=C(\N)c4cccc5nc6cccc(C)c6nc45)c3nc12
InChIInChI=1S/C37H41N9O/c1-24-10-5-14-28-32(24)43-34-26(12-7-16-30(34)41-28)36(38)39-18-22-45(3)20-9-21-46(4)23-19-40-37(47)27-13-8-17-31-35(27)44-33-25(2)11-6-15-29(33)42-31/h5-8,10-17H,9,18-23H2,1-4H3,(H2,38,39)(H,40,47)
InChIKeyCQHGUDFDCLJSQV-UHFFFAOYSA-N
XLogP4.89
TPSA125.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.80
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-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

Related Compounds

N-[(E)-4,5-diamino-8-[(9-methylphenazine-1-carbonyl)amino]oct-4-enyl]-9-methylphenazine-1-carboxamide
CID 70131082
N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide
CID 89338534
N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide
CID 10603794
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
6-[2-(3-aminopropanoylamino)-4-[[3-[methyl-[2-[(9-methylphenazine-1-carbonyl)amino]ethyl]amino]propyl-[2-[(9-methylphenazine-1-carbonyl)amino]ethyl]amino]methyl]phenoxy]-4-hydroxyoxane-2-carboxylic acid
CID 145040663
6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide
CID 10699482
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
8-(chloromethyl)-N-[3-[3-[[8-(chloromethyl)acridine-4-carbonyl]amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 54093592
N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
CID 10134914
1-N,2-N-bis[2-[methyl(tridecyl)amino]ethyl]benzene-1,2-dicarboxamide
CID 139953242
2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 113230340
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide?
The IUPAC name of N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide (CID 163495440) is N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide.
What is the SMILES notation for N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide?
The canonical SMILES for N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide is Cc1cccc2nc3cccc(C(=O)NCCN(C)CCCN(C)CC/N=C(\N)c4cccc5nc6cccc(C)c6nc45)c3nc12.
What is the InChIKey of N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide?
The InChIKey is CQHGUDFDCLJSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N9O/c1-24-10-5-14-28-32(24)43-34-26(12-7-16-30(34)41-28)36(38)39-18-22-45(3)20-9-21-46(4)23-19-40-37(47)27-13-8-17-31-35(27)44-33-25(2)11-6-15-29(33)42-31/h5-8,10-17H,9,18-23H2,1-4H3,(H2,38,39)(H,40,47).
What are the key properties of N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide?
N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide has a molecular weight of 627.80 g/mol, XLogP of 4.89, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide is sourced from PubChem (CID 163495440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).