[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate

C19H15Cl2N3O5 — CID 2375965

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
SMILESO=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N3O5/c20-11-8-14(21)17(22-9-11)23-15(25)10-29-16(26)6-3-7-24-18(27)12-4-1-2-5-13(12)19(24)28/h1-2,4-5,8-9H,3,6-7,10H2,(H,22,23,25)
InChIKeyXUUXFAOHBUWLIQ-UHFFFAOYSA-N
MW436.25 g/mol
LogP2.95
Rot. Bonds7

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate (PubChem CID 2375965) has the molecular formula C19H15Cl2N3O5 and a molecular weight of 436.25 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
PubChem CID2375965
Molecular FormulaC19H15Cl2N3O5
Molecular Weight436.25 g/mol
Exact Mass435.04
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
SMILESO=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N3O5/c20-11-8-14(21)17(22-9-11)23-15(25)10-29-16(26)6-3-7-24-18(27)12-4-1-2-5-13(12)19(24)28/h1-2,4-5,8-9H,3,6-7,10H2,(H,22,23,25)
InChIKeyXUUXFAOHBUWLIQ-UHFFFAOYSA-N
XLogP2.95
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate 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

N-(5-chloropyridin-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 669851
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2102827
N-(5-Chloro-2-pyridyl)phthalimide
CID 554989
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2377530
[1-[(3,5-Dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 2998074
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 3931605
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 4401872
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 5192547
ethyl 4-{1-[(5-chloropyridin-2-yl)amino]-3-oxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate
CID 5308415
2-Benzyl-3-[(5-chloropyridin-2-YL)amino]-2,3-dihydro-1H-isoindol-1-one
CID 11957179
[2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2340556
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2601957

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate (CID 2375965) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate is O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
The InChIKey is XUUXFAOHBUWLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O5/c20-11-8-14(21)17(22-9-11)23-15(25)10-29-16(26)6-3-7-24-18(27)12-4-1-2-5-13(12)19(24)28/h1-2,4-5,8-9H,3,6-7,10H2,(H,22,23,25).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate has a molecular weight of 436.25 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate is sourced from PubChem (CID 2375965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).