N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide

C32H49N3OSn — CID 59228761

IUPACN-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc2cc3cccc(C(=O)NCCN(CC)CC)c3nc12
InChIInChI=1S/C20H22N3O.3C4H9.Sn/c1-3-23(4-2)13-12-21-20(24)17-10-7-9-16-14-15-8-5-6-11-18(15)22-19(16)17;3*1-3-4-2;/h5-10,14H,3-4,12-13H2,1-2H3,(H,21,24);3*1,3-4H2,2H3;
InChIKeyIAKGWAQMLKPFTF-UHFFFAOYSA-N
MW610.48 g/mol
LogP7.52
Rot. Bonds16

About N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide

N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide (PubChem CID 59228761) has the molecular formula C32H49N3OSn and a molecular weight of 610.48 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide
PubChem CID59228761
Molecular FormulaC32H49N3OSn
Molecular Weight610.48 g/mol
Exact Mass611.29
IUPAC NameN-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc2cc3cccc(C(=O)NCCN(CC)CC)c3nc12
InChIInChI=1S/C20H22N3O.3C4H9.Sn/c1-3-23(4-2)13-12-21-20(24)17-10-7-9-16-14-15-8-5-6-11-18(15)22-19(16)17;3*1-3-4-2;/h5-10,14H,3-4,12-13H2,1-2H3,(H,21,24);3*1,3-4H2,2H3;
InChIKeyIAKGWAQMLKPFTF-UHFFFAOYSA-N
XLogP7.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.48
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-tributylstannylphenazine-1-carboxamide
CID 52952477
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide
CID 89338534
N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677
N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide
CID 10603794
N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide
CID 59228758
N-[2-(diethylamino)ethyl]-3-methylacridine-4-carboxamide
CID 143617146
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide (CID 59228761) is N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide is CCCC[Sn](CCCC)(CCCC)c1cccc2cc3cccc(C(=O)NCCN(CC)CC)c3nc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide?
The InChIKey is IAKGWAQMLKPFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N3O.3C4H9.Sn/c1-3-23(4-2)13-12-21-20(24)17-10-7-9-16-14-15-8-5-6-11-18(15)22-19(16)17;3*1-3-4-2;/h5-10,14H,3-4,12-13H2,1-2H3,(H,21,24);3*1,3-4H2,2H3;.
What are the key properties of N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide?
N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide has a molecular weight of 610.48 g/mol, XLogP of 7.52, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide is sourced from PubChem (CID 59228761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).