[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C21H26ClN3O4 — CID 55309468

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H26ClN3O4/c22-16-1-2-17(23-10-16)25-19(27)12-29-20(28)11-24-18(26)9-21-6-13-3-14(7-21)5-15(4-13)8-21/h1-2,10,13-15H,3-9,11-12H2,(H,24,26)(H,23,25,27)
InChIKeyGUGBUSXFBXYKEJ-UHFFFAOYSA-N
MW419.91 g/mol
LogP2.94
Rot. Bonds7

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 55309468) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID55309468
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H26ClN3O4/c22-16-1-2-17(23-10-16)25-19(27)12-29-20(28)11-24-18(26)9-21-6-13-3-14(7-21)5-15(4-13)8-21/h1-2,10,13-15H,3-9,11-12H2,(H,24,26)(H,23,25,27)
InChIKeyGUGBUSXFBXYKEJ-UHFFFAOYSA-N
XLogP2.94
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate with MolForge

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Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360297
2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 3906947
[2-(4-ethylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251677
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7603650
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 4790414
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755342
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360351
N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
CID 2848364
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 3532838
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 34779349
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2450474

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 55309468) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is GUGBUSXFBXYKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4/c22-16-1-2-17(23-10-16)25-19(27)12-29-20(28)11-24-18(26)9-21-6-13-3-14(7-21)5-15(4-13)8-21/h1-2,10,13-15H,3-9,11-12H2,(H,24,26)(H,23,25,27).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 419.91 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 55309468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).