ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate

C20H21F2NO4 — CID 135198344

IUPACethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC2CCOCC2)cc(-c2cc(F)cc(F)c2)c1=O
InChIInChI=1S/C20H21F2NO4/c1-2-27-20(25)18-12-23(10-13-3-5-26-6-4-13)11-17(19(18)24)14-7-15(21)9-16(22)8-14/h7-9,11-13H,2-6,10H2,1H3
InChIKeyRZRKTKMHTNWKRG-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.40
Rot. Bonds5

About ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate

ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate (PubChem CID 135198344) has the molecular formula C20H21F2NO4 and a molecular weight of 377.39 g/mol. Its IUPAC name is ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate
PubChem CID135198344
Molecular FormulaC20H21F2NO4
Molecular Weight377.39 g/mol
Exact Mass377.14
IUPAC Nameethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC2CCOCC2)cc(-c2cc(F)cc(F)c2)c1=O
InChIInChI=1S/C20H21F2NO4/c1-2-27-20(25)18-12-23(10-13-3-5-26-6-4-13)11-17(19(18)24)14-7-15(21)9-16(22)8-14/h7-9,11-13H,2-6,10H2,1H3
InChIKeyRZRKTKMHTNWKRG-UHFFFAOYSA-N
XLogP3.40
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid
CID 129135031
5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129300479
ethyl 5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridazine-3-carboxylate
CID 139336864
5-bromo-6-ethoxycarbonyl-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid
CID 142563819
3-[2-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 147745828
N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129110694
N-[4-[2-amino-5-(4-hydroxy-3-nitrosophenyl)phenyl]phenyl]-5-(4-ethylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 118657284
N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135523
3-[2-[4-[2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;methanesulfonic acid
CID 159732855
3-[2-[4-[2-amino-5-(2-methoxy-6-methyl-4-pyridinyl)-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 158805899
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
N-[4-[2-amino-5-(2-methoxy-6-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135695

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate (CID 135198344) is ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate is CCOC(=O)c1cn(CC2CCOCC2)cc(-c2cc(F)cc(F)c2)c1=O.
What is the InChIKey of ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate?
The InChIKey is RZRKTKMHTNWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO4/c1-2-27-20(25)18-12-23(10-13-3-5-26-6-4-13)11-17(19(18)24)14-7-15(21)9-16(22)8-14/h7-9,11-13H,2-6,10H2,1H3.
What are the key properties of ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate?
ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate has a molecular weight of 377.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 135198344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).