ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate

C24H26FNO4 — CID 126649743

IUPACethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(CF)N(Cc2ccc(OC)cc2)C=CC1c1ccc(OC)cc1
InChIInChI=1S/C24H26FNO4/c1-4-30-24(27)23-21(18-7-11-20(29-3)12-8-18)13-14-26(22(23)15-25)16-17-5-9-19(28-2)10-6-17/h5-14,21H,4,15-16H2,1-3H3
InChIKeyZVDAARAVOKYVLJ-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.60
Rot. Bonds8

About ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate

ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate (PubChem CID 126649743) has the molecular formula C24H26FNO4 and a molecular weight of 411.47 g/mol. Its IUPAC name is ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate
PubChem CID126649743
Molecular FormulaC24H26FNO4
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Nameethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(CF)N(Cc2ccc(OC)cc2)C=CC1c1ccc(OC)cc1
InChIInChI=1S/C24H26FNO4/c1-4-30-24(27)23-21(18-7-11-20(29-3)12-8-18)13-14-26(22(23)15-25)16-17-5-9-19(28-2)10-6-17/h5-14,21H,4,15-16H2,1-3H3
InChIKeyZVDAARAVOKYVLJ-UHFFFAOYSA-N
XLogP4.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (6S)-3-benzyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1300178
ethyl (6S)-3-benzyl-6-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 2363809
diethyl 1-[(4-methoxyphenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 17371390
ethyl (4R)-1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-phenyl-4H-quinoline-3-carboxylate
CID 132500030
dimethyl 4-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4170111
ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
CID 122181893
ethyl 1-benzyl-2-benzylsulfanyl-4-(4-methoxyphenyl)-6-methyl-4H-pyrimidine-5-carboxylate
CID 11190962
benzyl 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 71768429
ethyl 1-hexyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 102046008
diethyl 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 21373629
ethyl (2S,3R)-1-benzyl-3-(4-methoxyphenyl)aziridine-2-carboxylate
CID 101067614
ethyl (1R,6R,7R)-2-[(4-methoxyphenyl)methyl]-3-oxo-2-azabicyclo[4.1.0]heptane-7-carboxylate
CID 102388232

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate (CID 126649743) is ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate is CCOC(=O)C1=C(CF)N(Cc2ccc(OC)cc2)C=CC1c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate?
The InChIKey is ZVDAARAVOKYVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO4/c1-4-30-24(27)23-21(18-7-11-20(29-3)12-8-18)13-14-26(22(23)15-25)16-17-5-9-19(28-2)10-6-17/h5-14,21H,4,15-16H2,1-3H3.
What are the key properties of ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate?
ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate has a molecular weight of 411.47 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate is sourced from PubChem (CID 126649743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).