methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate

C16H16ClN3O4 — CID 89105981

IUPACmethyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2ccc(Cl)cn2)c(N)c1
InChIInChI=1S/C16H16ClN3O4/c1-23-16(22)7-10-2-4-13(12(18)6-10)24-9-15(21)20-14-5-3-11(17)8-19-14/h2-6,8H,7,9,18H2,1H3,(H,19,20,21)
InChIKeyIIDDPGQGELLPEQ-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.05
Rot. Bonds6

About methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate

methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate (PubChem CID 89105981) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate
PubChem CID89105981
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Namemethyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2ccc(Cl)cn2)c(N)c1
InChIInChI=1S/C16H16ClN3O4/c1-23-16(22)7-10-2-4-13(12(18)6-10)24-9-15(21)20-14-5-3-11(17)8-19-14/h2-6,8H,7,9,18H2,1H3,(H,19,20,21)
InChIKeyIIDDPGQGELLPEQ-UHFFFAOYSA-N
XLogP2.05
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2128296
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate
CID 75452408
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23818620
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2450474
N-(5-chloro-2-pyridinyl)-2-(2-propoxyphenoxy)acetamide
CID 34135754
2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 28893684
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590310
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 4792667
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 55308668
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide
CID 43054897

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate (CID 89105981) is methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC(=O)Nc2ccc(Cl)cn2)c(N)c1.
What is the InChIKey of methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate?
The InChIKey is IIDDPGQGELLPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-23-16(22)7-10-2-4-13(12(18)6-10)24-9-15(21)20-14-5-3-11(17)8-19-14/h2-6,8H,7,9,18H2,1H3,(H,19,20,21).
What are the key properties of methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate?
methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate has a molecular weight of 349.77 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-amino-4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]phenyl]acetate is sourced from PubChem (CID 89105981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).