5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one

C19H17ClN2O2 — CID 86304433

IUPAC5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one
SMILESCOc1ncc(Cc2ccc(=O)n(C)c2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O2/c1-22-12-13(6-7-18(22)23)8-14-9-17(19(24-2)21-11-14)15-4-3-5-16(20)10-15/h3-7,9-12H,8H2,1-2H3
InChIKeyBUBHQWUSUQUIBN-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.70
Rot. Bonds4

About 5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one

5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one (PubChem CID 86304433) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one
PubChem CID86304433
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one
SMILESCOc1ncc(Cc2ccc(=O)n(C)c2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O2/c1-22-12-13(6-7-18(22)23)8-14-9-17(19(24-2)21-11-14)15-4-3-5-16(20)10-15/h3-7,9-12H,8H2,1-2H3
InChIKeyBUBHQWUSUQUIBN-UHFFFAOYSA-N
XLogP3.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one (CID 86304433) is 5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one is COc1ncc(Cc2ccc(=O)n(C)c2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one?
The InChIKey is BUBHQWUSUQUIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-22-12-13(6-7-18(22)23)8-14-9-17(19(24-2)21-11-14)15-4-3-5-16(20)10-15/h3-7,9-12H,8H2,1-2H3.
What are the key properties of 5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one?
5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one has a molecular weight of 340.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 86304433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).