ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate

C18H25N3O4 — CID 69116841

IUPACethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate
SMILESCCOC(=O)CC1=C(C)CCN(NCc2cn(CC)ccc2=O)C1=O
InChIInChI=1S/C18H25N3O4/c1-4-20-8-7-16(22)14(12-20)11-19-21-9-6-13(3)15(18(21)24)10-17(23)25-5-2/h7-8,12,19H,4-6,9-11H2,1-3H3
InChIKeyASDUXWPCLMAJHA-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.37
Rot. Bonds7

About ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate

ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate (PubChem CID 69116841) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate
PubChem CID69116841
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate
SMILESCCOC(=O)CC1=C(C)CCN(NCc2cn(CC)ccc2=O)C1=O
InChIInChI=1S/C18H25N3O4/c1-4-20-8-7-16(22)14(12-20)11-19-21-9-6-13(3)15(18(21)24)10-17(23)25-5-2/h7-8,12,19H,4-6,9-11H2,1-3H3
InChIKeyASDUXWPCLMAJHA-UHFFFAOYSA-N
XLogP1.37
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate?
The IUPAC name of ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate (CID 69116841) is ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate?
The canonical SMILES for ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate is CCOC(=O)CC1=C(C)CCN(NCc2cn(CC)ccc2=O)C1=O.
What is the InChIKey of ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate?
The InChIKey is ASDUXWPCLMAJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-4-20-8-7-16(22)14(12-20)11-19-21-9-6-13(3)15(18(21)24)10-17(23)25-5-2/h7-8,12,19H,4-6,9-11H2,1-3H3.
What are the key properties of ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate?
ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate has a molecular weight of 347.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(1-ethyl-4-oxo-3-pyridinyl)methylamino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetate is sourced from PubChem (CID 69116841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).