[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate

C17H16Cl2N2O3 — CID 4786926

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate
SMILESCc1nc(NC(=O)COC(=O)CCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-11-13(18)9-14(19)17(20-11)21-15(22)10-24-16(23)8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,20,21,22)
InChIKeyHFGLAEQFSDFQIQ-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.81
Rot. Bonds6

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 4786926) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID4786926
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate
SMILESCc1nc(NC(=O)COC(=O)CCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-11-13(18)9-14(19)17(20-11)21-15(22)10-24-16(23)8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,20,21,22)
InChIKeyHFGLAEQFSDFQIQ-UHFFFAOYSA-N
XLogP3.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate (CID 4786926) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate is Cc1nc(NC(=O)COC(=O)CCc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is HFGLAEQFSDFQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-11-13(18)9-14(19)17(20-11)21-15(22)10-24-16(23)8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,20,21,22).
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 367.23 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 4786926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).