[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate

C15H19ClN2O3 — CID 2085057

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H19ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,17,18,19)
InChIKeyCFPAPTHPFYHAJT-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.19
Rot. Bonds6

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2085057) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2085057
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H19ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,17,18,19)
InChIKeyCFPAPTHPFYHAJT-UHFFFAOYSA-N
XLogP3.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate
CID 2084415
[2-[(3,5-Dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 2093970
[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-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 16299377
[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
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 2520095
N-(5-chloropyridin-2-yl)-2-ethylhexanamide
CID 645923
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2084275

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate (CID 2085057) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is CFPAPTHPFYHAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,17,18,19).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 310.78 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 2085057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).