(1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate

C15H15NO3 — CID 824943

IUPAC(1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2cc(C)n(C)c(=O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-10-4-6-12(7-5-10)15(18)19-13-8-11(2)16(3)14(17)9-13/h4-9H,1-3H3
InChIKeySXINHTJTDXGZMN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.22
Rot. Bonds2

About (1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate

(1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate (PubChem CID 824943) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate.

Molecular Properties

Compound Name(1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate
PubChem CID824943
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2cc(C)n(C)c(=O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-10-4-6-12(7-5-10)15(18)19-13-8-11(2)16(3)14(17)9-13/h4-9H,1-3H3
InChIKeySXINHTJTDXGZMN-UHFFFAOYSA-N
XLogP2.22
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate?
The IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate (CID 824943) is (1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate.
What is the SMILES notation for (1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate?
The canonical SMILES for (1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate is Cc1ccc(C(=O)Oc2cc(C)n(C)c(=O)c2)cc1.
What is the InChIKey of (1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate?
The InChIKey is SXINHTJTDXGZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-4-6-12(7-5-10)15(18)19-13-8-11(2)16(3)14(17)9-13/h4-9H,1-3H3.
What are the key properties of (1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate?
(1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate has a molecular weight of 257.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-6-oxo-4-pyridinyl) 4-methylbenzoate is sourced from PubChem (CID 824943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).