ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate

C15H22N2O4 — CID 61022191

IUPACethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1c(C)cc(C)[nH]c1=O)C(C)C
InChIInChI=1S/C15H22N2O4/c1-6-21-12(18)8-17(9(2)3)15(20)13-10(4)7-11(5)16-14(13)19/h7,9H,6,8H2,1-5H3,(H,16,19)
InChIKeyFSZPEBSSDAOFOE-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.41
Rot. Bonds5

About ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate

ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 61022191) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID61022191
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1c(C)cc(C)[nH]c1=O)C(C)C
InChIInChI=1S/C15H22N2O4/c1-6-21-12(18)8-17(9(2)3)15(20)13-10(4)7-11(5)16-14(13)19/h7,9H,6,8H2,1-5H3,(H,16,19)
InChIKeyFSZPEBSSDAOFOE-UHFFFAOYSA-N
XLogP1.41
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate (CID 61022191) is ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1c(C)cc(C)[nH]c1=O)C(C)C.
What is the InChIKey of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is FSZPEBSSDAOFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-6-21-12(18)8-17(9(2)3)15(20)13-10(4)7-11(5)16-14(13)19/h7,9H,6,8H2,1-5H3,(H,16,19).
What are the key properties of ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate?
ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 294.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 61022191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).