methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide

C23H24N2O4 — CID 20537542

IUPACmethyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide
SMILESCCOc1cc(C(=O)OC)nc(-c2ccccc2)c1.NC(=O)Cc1ccccc1
InChIInChI=1S/C15H15NO3.C8H9NO/c1-3-19-12-9-13(11-7-5-4-6-8-11)16-14(10-12)15(17)18-2;9-8(10)6-7-4-2-1-3-5-7/h4-10H,3H2,1-2H3;1-5H,6H2,(H2,9,10)
InChIKeyMFNOXODCBFVBOG-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.65
Rot. Bonds6

About methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide

methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide (PubChem CID 20537542) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide.

Molecular Properties

Compound Namemethyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide
PubChem CID20537542
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namemethyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide
SMILESCCOc1cc(C(=O)OC)nc(-c2ccccc2)c1.NC(=O)Cc1ccccc1
InChIInChI=1S/C15H15NO3.C8H9NO/c1-3-19-12-9-13(11-7-5-4-6-8-11)16-14(10-12)15(17)18-2;9-8(10)6-7-4-2-1-3-5-7/h4-10H,3H2,1-2H3;1-5H,6H2,(H2,9,10)
InChIKeyMFNOXODCBFVBOG-UHFFFAOYSA-N
XLogP3.65
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide?
The IUPAC name of methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide (CID 20537542) is methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide.
What is the SMILES notation for methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide?
The canonical SMILES for methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide is CCOc1cc(C(=O)OC)nc(-c2ccccc2)c1.NC(=O)Cc1ccccc1.
What is the InChIKey of methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide?
The InChIKey is MFNOXODCBFVBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3.C8H9NO/c1-3-19-12-9-13(11-7-5-4-6-8-11)16-14(10-12)15(17)18-2;9-8(10)6-7-4-2-1-3-5-7/h4-10H,3H2,1-2H3;1-5H,6H2,(H2,9,10).
What are the key properties of methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide?
methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide has a molecular weight of 392.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide is sourced from PubChem (CID 20537542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).