[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

C13H14Cl2N3O2+ — CID 8620722

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESC[NH+](CC(=O)Nc1ncc(Cl)cc1Cl)Cc1ccco1
InChIInChI=1S/C13H13Cl2N3O2/c1-18(7-10-3-2-4-20-10)8-12(19)17-13-11(15)5-9(14)6-16-13/h2-6H,7-8H2,1H3,(H,16,17,19)/p+1
InChIKeyYMLLXOGDHKTIMQ-UHFFFAOYSA-O
MW315.18 g/mol
LogP1.63
Rot. Bonds5

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (PubChem CID 8620722) has the molecular formula C13H14Cl2N3O2+ and a molecular weight of 315.18 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
PubChem CID8620722
Molecular FormulaC13H14Cl2N3O2+
Molecular Weight315.18 g/mol
Exact Mass314.05
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESC[NH+](CC(=O)Nc1ncc(Cl)cc1Cl)Cc1ccco1
InChIInChI=1S/C13H13Cl2N3O2/c1-18(7-10-3-2-4-20-10)8-12(19)17-13-11(15)5-9(14)6-16-13/h2-6H,7-8H2,1H3,(H,16,17,19)/p+1
InChIKeyYMLLXOGDHKTIMQ-UHFFFAOYSA-O
XLogP1.63
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium 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

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333255
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785754
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846588
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 7995548
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9332722
furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9333240
bis(furan-2-ylmethyl)-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]azanium
CID 8840703
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8620955
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8710504
[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8710516

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (CID 8620722) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is C[NH+](CC(=O)Nc1ncc(Cl)cc1Cl)Cc1ccco1.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The InChIKey is YMLLXOGDHKTIMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-18(7-10-3-2-4-20-10)8-12(19)17-13-11(15)5-9(14)6-16-13/h2-6H,7-8H2,1H3,(H,16,17,19)/p+1.
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium has a molecular weight of 315.18 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is sourced from PubChem (CID 8620722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).