[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate

C16H14Cl2N2O4 — CID 2396711

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESCc1nc(NC(=O)COC(=O)c2ccc(CO)cc2)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c1-9-12(17)6-13(18)15(19-9)20-14(22)8-24-16(23)11-4-2-10(7-21)3-5-11/h2-6,21H,7-8H2,1H3,(H,19,20,22)
InChIKeyHSVOSGYWEXANCY-UHFFFAOYSA-N
MW369.20 g/mol
LogP2.98
Rot. Bonds5

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate (PubChem CID 2396711) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
PubChem CID2396711
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESCc1nc(NC(=O)COC(=O)c2ccc(CO)cc2)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c1-9-12(17)6-13(18)15(19-9)20-14(22)8-24-16(23)11-4-2-10(7-21)3-5-11/h2-6,21H,7-8H2,1H3,(H,19,20,22)
InChIKeyHSVOSGYWEXANCY-UHFFFAOYSA-N
XLogP2.98
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate (CID 2396711) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate is Cc1nc(NC(=O)COC(=O)c2ccc(CO)cc2)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is HSVOSGYWEXANCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-9-12(17)6-13(18)15(19-9)20-14(22)8-24-16(23)11-4-2-10(7-21)3-5-11/h2-6,21H,7-8H2,1H3,(H,19,20,22).
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 369.20 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 2396711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).