benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate

C21H19NO4 — CID 69044654

IUPACbenzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate
SMILESCOc1ccn(C)c(=O)c1C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO4/c1-22-14-13-17(25-2)18(20(22)23)21(24)26-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,1-2H3
InChIKeyYKVBBUGXHPMBIN-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.34
Rot. Bonds5

About benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate

benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate (PubChem CID 69044654) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namebenzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate
PubChem CID69044654
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Namebenzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate
SMILESCOc1ccn(C)c(=O)c1C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO4/c1-22-14-13-17(25-2)18(20(22)23)21(24)26-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,1-2H3
InChIKeyYKVBBUGXHPMBIN-UHFFFAOYSA-N
XLogP3.34
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
The IUPAC name of benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate (CID 69044654) is benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate is COc1ccn(C)c(=O)c1C(=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
The InChIKey is YKVBBUGXHPMBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-22-14-13-17(25-2)18(20(22)23)21(24)26-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,1-2H3.
What are the key properties of benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 69044654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).