[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C16H20ClN3O4 — CID 2084275

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H20ClN3O4/c17-12-6-7-13(18-8-12)20-14(21)10-24-15(22)9-19-16(23)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,19,23)(H,18,20,21)
InChIKeyVYKIYHKSOMKAQH-UHFFFAOYSA-N
MW353.81 g/mol
LogP1.91
Rot. Bonds6

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2084275) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2084275
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H20ClN3O4/c17-12-6-7-13(18-8-12)20-14(21)10-24-15(22)9-19-16(23)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,19,23)(H,18,20,21)
InChIKeyVYKIYHKSOMKAQH-UHFFFAOYSA-N
XLogP1.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate
CID 2084415
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2102827
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 4656575
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methylcyclopropane-1-carboxylate
CID 16302001
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
CID 2477493
[2-[(3,5-Dichloropyridin-2-yl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate
CID 4220339
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4855756
N-(5-chloropyridin-2-yl)-2-ethylhexanamide
CID 645923
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2085057
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2129023
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2377530
N-[(4-Chloro-phenyl)-isopropylcarbamoyl-methyl]-N-(2-methoxy-ethyl)-N'-pyridin-2-yl-succinamide
CID 3204940

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2084275) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is VYKIYHKSOMKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c17-12-6-7-13(18-8-12)20-14(21)10-24-15(22)9-19-16(23)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,19,23)(H,18,20,21).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 353.81 g/mol, XLogP of 1.91, 6 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-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2084275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).