2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C19H23F2NO3 — CID 40645339

IUPAC2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(F)c1F
InChIInChI=1S/C19H23F2NO3/c1-4-12(5-2)10-25-19(24)17-11(3)22-16(23)9-14(17)13-7-6-8-15(20)18(13)21/h6-8,12,14H,4-5,9-10H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyJATURJYBOYWPHJ-AWEZNQCLSA-N
MW351.39 g/mol
LogP3.82
Rot. Bonds6

About 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 40645339) has the molecular formula C19H23F2NO3 and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Name2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID40645339
Molecular FormulaC19H23F2NO3
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC Name2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(F)c1F
InChIInChI=1S/C19H23F2NO3/c1-4-12(5-2)10-25-19(24)17-11(3)22-16(23)9-14(17)13-7-6-8-15(20)18(13)21/h6-8,12,14H,4-5,9-10H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyJATURJYBOYWPHJ-AWEZNQCLSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylbutyl 6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17312476
(4-methylphenyl)methyl 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 15989875
4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 68830561
benzyl (4S)-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 773477
(4-methylphenyl)methyl 4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 15989809
ethyl (4R)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488606
ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 3754011
ethyl (4S)-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488610
2-methylpropyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17312470
ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 2764050
benzyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 21035098
[(2S)-butan-2-yl] (4R)-4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40645043

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 40645339) is 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(F)c1F.
What is the InChIKey of 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is JATURJYBOYWPHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23F2NO3/c1-4-12(5-2)10-25-19(24)17-11(3)22-16(23)9-14(17)13-7-6-8-15(20)18(13)21/h6-8,12,14H,4-5,9-10H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 351.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 40645339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).