4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one

C19H16Cl2FN3O2 — CID 155528215

IUPAC4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one
SMILESCC(Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H16Cl2FN3O2/c1-10(17-13(20)3-4-14(22)18(17)21)27-15-7-12(9-24-19(15)23)11-5-6-25(2)16(26)8-11/h3-10H,1-2H3,(H2,23,24)
InChIKeyAPENINWAKNLZAY-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.62
Rot. Bonds4

About 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one

4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one (PubChem CID 155528215) has the molecular formula C19H16Cl2FN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one
PubChem CID155528215
Molecular FormulaC19H16Cl2FN3O2
Molecular Weight408.26 g/mol
Exact Mass407.06
IUPAC Name4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one
SMILESCC(Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H16Cl2FN3O2/c1-10(17-13(20)3-4-14(22)18(17)21)27-15-7-12(9-24-19(15)23)11-5-6-25(2)16(26)8-11/h3-10H,1-2H3,(H2,23,24)
InChIKeyAPENINWAKNLZAY-UHFFFAOYSA-N
XLogP4.62
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one (CID 155528215) is 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one is CC(Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one?
The InChIKey is APENINWAKNLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O2/c1-10(17-13(20)3-4-14(22)18(17)21)27-15-7-12(9-24-19(15)23)11-5-6-25(2)16(26)8-11/h3-10H,1-2H3,(H2,23,24).
What are the key properties of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one?
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one has a molecular weight of 408.26 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1-methylpyridin-2-one is sourced from PubChem (CID 155528215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).