ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate

C16H18N2O4 — CID 155954552

IUPACethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(Cc2ccn(C)c(=O)c2)cc1C
InChIInChI=1S/C16H18N2O4/c1-4-22-16(21)13-8-15(20)18(9-11(13)2)10-12-5-6-17(3)14(19)7-12/h5-9H,4,10H2,1-3H3
InChIKeyBCZOUNRRFLBNQC-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.08
Rot. Bonds4

About ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate

ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate (PubChem CID 155954552) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate
PubChem CID155954552
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(Cc2ccn(C)c(=O)c2)cc1C
InChIInChI=1S/C16H18N2O4/c1-4-22-16(21)13-8-15(20)18(9-11(13)2)10-12-5-6-17(3)14(19)7-12/h5-9H,4,10H2,1-3H3
InChIKeyBCZOUNRRFLBNQC-UHFFFAOYSA-N
XLogP1.08
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 155948034
ethyl 1-(1,2-oxazol-5-ylmethyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 166372466
ethyl 1-[(1-ethylpyrazol-3-yl)methyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 166372462
ethyl 6-methylimidazo[1,2-a]pyridine-7-carboxylate
CID 76849693
ethyl 1-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxylate
CID 46835601
ethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
CID 110382712
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
ethyl 1-[(3-fluorophenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421652
ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 53418933
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 1,7-dimethylindole-5-carboxylate
CID 137376085
ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate
CID 170904363

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate (CID 155954552) is ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate is CCOC(=O)c1cc(=O)n(Cc2ccn(C)c(=O)c2)cc1C.
What is the InChIKey of ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate?
The InChIKey is BCZOUNRRFLBNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-22-16(21)13-8-15(20)18(9-11(13)2)10-12-5-6-17(3)14(19)7-12/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate?
ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 155954552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).