[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate

C12H12Cl2N2O3 — CID 3557293

IUPAC[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)C2CC2)c1Cl
InChIInChI=1S/C12H12Cl2N2O3/c1-6-8(13)4-15-11(10(6)14)16-9(17)5-19-12(18)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyZUAUJNAWJNGZRI-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.59
Rot. Bonds4

About [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 3557293) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.15 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID3557293
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)C2CC2)c1Cl
InChIInChI=1S/C12H12Cl2N2O3/c1-6-8(13)4-15-11(10(6)14)16-9(17)5-19-12(18)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyZUAUJNAWJNGZRI-UHFFFAOYSA-N
XLogP2.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.59
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-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate (CID 3557293) is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate is Cc1c(Cl)cnc(NC(=O)COC(=O)C2CC2)c1Cl.
What is the InChIKey of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is ZUAUJNAWJNGZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c1-6-8(13)4-15-11(10(6)14)16-9(17)5-19-12(18)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,15,16,17).
What are the key properties of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 303.15 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 3557293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).