(6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide

C19H20N4O5 — CID 135583187

IUPAC(6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(=O)c2nc3/c(=C\O)c(O)cc(=O)c3[nH]c12
InChIInChI=1S/C19H20N4O5/c1-23(2)7-3-6-20-19(28)10-4-5-12(25)17-15(10)21-18-14(27)8-13(26)11(9-24)16(18)22-17/h4-5,8-9,21,24,26H,3,6-7H2,1-2H3,(H,20,28)/b11-9-
InChIKeyMCDCEKLVGUNNLR-LUAWRHEFSA-N
MW384.39 g/mol
LogP-0.16
Rot. Bonds5

About (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide

(6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide (PubChem CID 135583187) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide.

Molecular Properties

Compound Name(6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide
PubChem CID135583187
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name(6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(=O)c2nc3/c(=C\O)c(O)cc(=O)c3[nH]c12
InChIInChI=1S/C19H20N4O5/c1-23(2)7-3-6-20-19(28)10-4-5-12(25)17-15(10)21-18-14(27)8-13(26)11(9-24)16(18)22-17/h4-5,8-9,21,24,26H,3,6-7H2,1-2H3,(H,20,28)/b11-9-
InChIKeyMCDCEKLVGUNNLR-LUAWRHEFSA-N
XLogP-0.16
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
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 (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-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

Related Compounds

N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide
CID 173386261
(6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid
CID 135441675
7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide
CID 135976865
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701163
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide
CID 123952804

Frequently Asked Questions

What is the IUPAC name of (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide?
The IUPAC name of (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide (CID 135583187) is (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide.
What is the SMILES notation for (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide?
The canonical SMILES for (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide is CN(C)CCCNC(=O)c1ccc(=O)c2nc3/c(=C\O)c(O)cc(=O)c3[nH]c12.
What is the InChIKey of (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide?
The InChIKey is MCDCEKLVGUNNLR-LUAWRHEFSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-23(2)7-3-6-20-19(28)10-4-5-12(25)17-15(10)21-18-14(27)8-13(26)11(9-24)16(18)22-17/h4-5,8-9,21,24,26H,3,6-7H2,1-2H3,(H,20,28)/b11-9-.
What are the key properties of (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide?
(6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide has a molecular weight of 384.39 g/mol, XLogP of -0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide is sourced from PubChem (CID 135583187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).