3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide

C35H35N7O2 — CID 54503419

IUPAC3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide
SMILESCc1cc(C(=O)NC(C)CN(C)CC(C)NC(=O)c2cc(C)cc3nc4ccccc4nc23)c2nc3ccccc3nc2c1
InChIInChI=1S/C35H35N7O2/c1-20-14-24(32-30(16-20)38-26-10-6-8-12-28(26)40-32)34(43)36-22(3)18-42(5)19-23(4)37-35(44)25-15-21(2)17-31-33(25)41-29-13-9-7-11-27(29)39-31/h6-17,22-23H,18-19H2,1-5H3,(H,36,43)(H,37,44)
InChIKeyYEANUESLEKDHLJ-UHFFFAOYSA-N
MW585.71 g/mol
LogP5.36
Rot. Bonds8

About 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide

3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide (PubChem CID 54503419) has the molecular formula C35H35N7O2 and a molecular weight of 585.71 g/mol. Its IUPAC name is 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide
PubChem CID54503419
Molecular FormulaC35H35N7O2
Molecular Weight585.71 g/mol
Exact Mass585.29
IUPAC Name3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide
SMILESCc1cc(C(=O)NC(C)CN(C)CC(C)NC(=O)c2cc(C)cc3nc4ccccc4nc23)c2nc3ccccc3nc2c1
InChIInChI=1S/C35H35N7O2/c1-20-14-24(32-30(16-20)38-26-10-6-8-12-28(26)40-32)34(43)36-22(3)18-42(5)19-23(4)37-35(44)25-15-21(2)17-31-33(25)41-29-13-9-7-11-27(29)39-31/h6-17,22-23H,18-19H2,1-5H3,(H,36,43)(H,37,44)
InChIKeyYEANUESLEKDHLJ-UHFFFAOYSA-N
XLogP5.36
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide with MolForge

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Related Compounds

N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide
CID 23299931
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
CID 11580719
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
4-amino-N-[1-(dimethylamino)propan-2-yl]quinoline-2-carboxamide
CID 82945143
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82946038
N-[1-(dimethylamino)ethyl]acridine-4-carboxamide
CID 18688656
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide
CID 82940781
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
CID 78856708
N-methylphenazine-1-carboxamide
CID 4257706

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide?
The IUPAC name of 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide (CID 54503419) is 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide is Cc1cc(C(=O)NC(C)CN(C)CC(C)NC(=O)c2cc(C)cc3nc4ccccc4nc23)c2nc3ccccc3nc2c1.
What is the InChIKey of 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide?
The InChIKey is YEANUESLEKDHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O2/c1-20-14-24(32-30(16-20)38-26-10-6-8-12-28(26)40-32)34(43)36-22(3)18-42(5)19-23(4)37-35(44)25-15-21(2)17-31-33(25)41-29-13-9-7-11-27(29)39-31/h6-17,22-23H,18-19H2,1-5H3,(H,36,43)(H,37,44).
What are the key properties of 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide?
3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[methyl-[2-[(3-methylphenazine-1-carbonyl)amino]propyl]amino]propan-2-yl]phenazine-1-carboxamide is sourced from PubChem (CID 54503419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).