[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

C17H19Cl2N4O2+ — CID 8785754

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N4O2/c1-11-3-5-13(6-4-11)21-15(24)9-23(2)10-16(25)22-17-14(19)7-12(18)8-20-17/h3-8H,9-10H2,1-2H3,(H,21,24)(H,20,22,25)/p+1
InChIKeyVOOAZONJWFGCRX-UHFFFAOYSA-O
MW382.27 g/mol
LogP1.79
Rot. Bonds6

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 8785754) has the molecular formula C17H19Cl2N4O2+ and a molecular weight of 382.27 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
PubChem CID8785754
Molecular FormulaC17H19Cl2N4O2+
Molecular Weight382.27 g/mol
Exact Mass381.09
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N4O2/c1-11-3-5-13(6-4-11)21-15(24)9-23(2)10-16(25)22-17-14(19)7-12(18)8-20-17/h3-8H,9-10H2,1-2H3,(H,21,24)(H,20,22,25)/p+1
InChIKeyVOOAZONJWFGCRX-UHFFFAOYSA-O
XLogP1.79
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846588
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8729190
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8620722
(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714126
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588581
methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 2699212
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2369835
S-methyl N-(3,5-dichloro-2-pyridinyl)carbamothioate
CID 87838372
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588768

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 8785754) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The InChIKey is VOOAZONJWFGCRX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-11-3-5-13(6-4-11)21-15(24)9-23(2)10-16(25)22-17-14(19)7-12(18)8-20-17/h3-8H,9-10H2,1-2H3,(H,21,24)(H,20,22,25)/p+1.
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 382.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 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]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8785754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).