N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide

C18H17IN4O5 — CID 173386261

IUPACN-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide
SMILESCN(C)CCNC(=O)c1c(I)cc(=O)c2nc3c(=CO)c(O)cc(=O)c3[nH]c12
InChIInChI=1S/C18H17IN4O5/c1-23(2)4-3-20-18(28)13-9(19)5-11(26)16-17(13)22-15-12(27)6-10(25)8(7-24)14(15)21-16/h5-7,22,24-25H,3-4H2,1-2H3,(H,20,28)
InChIKeyHNEFWDZVYLJPBH-UHFFFAOYSA-N
MW496.26 g/mol
LogP0.05
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide

N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide (PubChem CID 173386261) has the molecular formula C18H17IN4O5 and a molecular weight of 496.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide
PubChem CID173386261
Molecular FormulaC18H17IN4O5
Molecular Weight496.26 g/mol
Exact Mass496.02
IUPAC NameN-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide
SMILESCN(C)CCNC(=O)c1c(I)cc(=O)c2nc3c(=CO)c(O)cc(=O)c3[nH]c12
InChIInChI=1S/C18H17IN4O5/c1-23(2)4-3-20-18(28)13-9(19)5-11(26)16-17(13)22-15-12(27)6-10(25)8(7-24)14(15)21-16/h5-7,22,24-25H,3-4H2,1-2H3,(H,20,28)
InChIKeyHNEFWDZVYLJPBH-UHFFFAOYSA-N
XLogP0.05
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.26
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide
CID 135583187
(6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide
CID 135603813
(6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid
CID 135441675
N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 54380946
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide
CID 171383887
4-bromo-N-[2-(dimethylamino)ethyl]-3,5-difluorobenzamide
CID 172646665
N-[2-(diethylamino)ethyl]-7-hydroxy-1H-indole-2-carboxamide
CID 14444322
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide
CID 135976865

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide (CID 173386261) is N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide is CN(C)CCNC(=O)c1c(I)cc(=O)c2nc3c(=CO)c(O)cc(=O)c3[nH]c12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide?
The InChIKey is HNEFWDZVYLJPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN4O5/c1-23(2)4-3-20-18(28)13-9(19)5-11(26)16-17(13)22-15-12(27)6-10(25)8(7-24)14(15)21-16/h5-7,22,24-25H,3-4H2,1-2H3,(H,20,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide?
N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide has a molecular weight of 496.26 g/mol, XLogP of 0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide is sourced from PubChem (CID 173386261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).