N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide

C19H21IN4O — CID 59228758

IUPACN-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccc2nc3cc([125I])ccc3nc12
InChIInChI=1S/C19H21IN4O/c1-3-24(4-2)11-10-21-19(25)14-6-5-7-16-18(14)23-15-9-8-13(20)12-17(15)22-16/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,25)/i20-2
InChIKeyLMWVGVNYEPEHIN-STTHPYEQSA-N
MW446.31 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide

N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide (PubChem CID 59228758) has the molecular formula C19H21IN4O and a molecular weight of 446.31 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide
PubChem CID59228758
Molecular FormulaC19H21IN4O
Molecular Weight446.31 g/mol
Exact Mass446.08
IUPAC NameN-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccc2nc3cc([125I])ccc3nc12
InChIInChI=1S/C19H21IN4O/c1-3-24(4-2)11-10-21-19(25)14-6-5-7-16-18(14)23-15-9-8-13(20)12-17(15)22-16/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,25)/i20-2
InChIKeyLMWVGVNYEPEHIN-STTHPYEQSA-N
XLogP3.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride
CID 24879197
N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677
N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide
CID 52952477
N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide
CID 158106861
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride
CID 73350413
N-[2-[ethyl-[2-[(6-fluoro-2-pyridinyl)amino]ethyl]amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 52950976
N-[2-(diethylamino)ethyl]-3-methylacridine-4-carboxamide
CID 143617146
N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
CID 44587791
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide (CID 59228758) is N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide is CCN(CC)CCNC(=O)c1cccc2nc3cc([125I])ccc3nc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide?
The InChIKey is LMWVGVNYEPEHIN-STTHPYEQSA-N. The full InChI is InChI=1S/C19H21IN4O/c1-3-24(4-2)11-10-21-19(25)14-6-5-7-16-18(14)23-15-9-8-13(20)12-17(15)22-16/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,25)/i20-2.
What are the key properties of N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide?
N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide has a molecular weight of 446.31 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide is sourced from PubChem (CID 59228758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).