N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide

C36H50FN5O2Sn — CID 52952477

IUPACN-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2nc3c(C(=O)NCCN(CC)CCOc4cccnc4F)cccc3nc2c1
InChIInChI=1S/C24H23FN5O2.3C4H9.Sn/c1-2-30(15-16-32-21-11-6-12-26-23(21)25)14-13-27-24(31)17-7-5-10-20-22(17)29-19-9-4-3-8-18(19)28-20;3*1-3-4-2;/h4-12H,2,13-16H2,1H3,(H,27,31);3*1,3-4H2,2H3;
InChIKeyGWEFADUOQDXSTI-UHFFFAOYSA-N
MW722.54 g/mol
LogP7.50
Rot. Bonds19

About N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide

N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide (PubChem CID 52952477) has the molecular formula C36H50FN5O2Sn and a molecular weight of 722.54 g/mol. Its IUPAC name is N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide
PubChem CID52952477
Molecular FormulaC36H50FN5O2Sn
Molecular Weight722.54 g/mol
Exact Mass723.30
IUPAC NameN-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2nc3c(C(=O)NCCN(CC)CCOc4cccnc4F)cccc3nc2c1
InChIInChI=1S/C24H23FN5O2.3C4H9.Sn/c1-2-30(15-16-32-21-11-6-12-26-23(21)25)14-13-27-24(31)17-7-5-10-20-22(17)29-19-9-4-3-8-18(19)28-20;3*1-3-4-2;/h4-12H,2,13-16H2,1H3,(H,27,31);3*1,3-4H2,2H3;
InChIKeyGWEFADUOQDXSTI-UHFFFAOYSA-N
XLogP7.50
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.54
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide
CID 59228758
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CID 52952259
N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide
CID 59228761
tert-butyl N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]carbamate;N'-ethyl-N'-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]ethane-1,2-diamine
CID 161032765
N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 52952373
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
2-aminobenzoic acid;bis(2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide);dihydrochloride
CID 174871279
N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide
CID 10114847
N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677
tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate
CID 70988890
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide?
The IUPAC name of N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide (CID 52952477) is N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide.
What is the SMILES notation for N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide?
The canonical SMILES for N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide is CCCC[Sn](CCCC)(CCCC)c1ccc2nc3c(C(=O)NCCN(CC)CCOc4cccnc4F)cccc3nc2c1.
What is the InChIKey of N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide?
The InChIKey is GWEFADUOQDXSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN5O2.3C4H9.Sn/c1-2-30(15-16-32-21-11-6-12-26-23(21)25)14-13-27-24(31)17-7-5-10-20-22(17)29-19-9-4-3-8-18(19)28-20;3*1-3-4-2;/h4-12H,2,13-16H2,1H3,(H,27,31);3*1,3-4H2,2H3;.
What are the key properties of N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide?
N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide has a molecular weight of 722.54 g/mol, XLogP of 7.50, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide is sourced from PubChem (CID 52952477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).