[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate

C19H22Cl2N2O3 — CID 4220339

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate
SMILESO=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N2O3/c20-14-4-15(21)18(22-9-14)23-16(24)10-26-17(25)8-19-5-11-1-12(6-19)3-13(2-11)7-19/h4,9,11-13H,1-3,5-8,10H2,(H,22,23,24)
InChIKeyZMQJCXVNGHUXCI-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.48
Rot. Bonds5

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate (PubChem CID 4220339) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate
PubChem CID4220339
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate
SMILESO=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N2O3/c20-14-4-15(21)18(22-9-14)23-16(24)10-26-17(25)8-19-5-11-1-12(6-19)3-13(2-11)7-19/h4,9,11-13H,1-3,5-8,10H2,(H,22,23,24)
InChIKeyZMQJCXVNGHUXCI-UHFFFAOYSA-N
XLogP4.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3,5-Dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 2093970
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
CID 2477493
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4855756
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2084275
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2085057
[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate
CID 2998264
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 3258599
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate
CID 3340585
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 4992071
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-cyclopentylacetate
CID 2114735
[2-[(3,5-Dichloropyridin-2-yl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 8019939
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-cyclopentylacetate
CID 16523091

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate (CID 4220339) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate is O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate?
The InChIKey is ZMQJCXVNGHUXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3/c20-14-4-15(21)18(22-9-14)23-16(24)10-26-17(25)8-19-5-11-1-12(6-19)3-13(2-11)7-19/h4,9,11-13H,1-3,5-8,10H2,(H,22,23,24).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate has a molecular weight of 397.30 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate is sourced from PubChem (CID 4220339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).