methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate

C15H16N2O3 — CID 57229167

IUPACmethyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate
SMILESCOC(=O)Cc1cc(Cc2ccccc2)[nH]c(=O)c1N
InChIInChI=1S/C15H16N2O3/c1-20-13(18)9-11-8-12(17-15(19)14(11)16)7-10-5-3-2-4-6-10/h2-6,8H,7,9,16H2,1H3,(H,17,19)
InChIKeyXLVRSBNAECVDAY-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.26
Rot. Bonds4

About methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate

methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate (PubChem CID 57229167) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate
PubChem CID57229167
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate
SMILESCOC(=O)Cc1cc(Cc2ccccc2)[nH]c(=O)c1N
InChIInChI=1S/C15H16N2O3/c1-20-13(18)9-11-8-12(17-15(19)14(11)16)7-10-5-3-2-4-6-10/h2-6,8H,7,9,16H2,1H3,(H,17,19)
InChIKeyXLVRSBNAECVDAY-UHFFFAOYSA-N
XLogP1.26
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate?
The IUPAC name of methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate (CID 57229167) is methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate.
What is the SMILES notation for methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate?
The canonical SMILES for methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate is COC(=O)Cc1cc(Cc2ccccc2)[nH]c(=O)c1N.
What is the InChIKey of methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate?
The InChIKey is XLVRSBNAECVDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-13(18)9-11-8-12(17-15(19)14(11)16)7-10-5-3-2-4-6-10/h2-6,8H,7,9,16H2,1H3,(H,17,19).
What are the key properties of methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate?
methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate has a molecular weight of 272.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate is sourced from PubChem (CID 57229167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).