ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate

C22H22FNO2 — CID 101152108

IUPACethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(CC)N(c2ccc(F)cc2)C=CC1c1ccccc1
InChIInChI=1S/C22H22FNO2/c1-3-20-21(22(25)26-4-2)19(16-8-6-5-7-9-16)14-15-24(20)18-12-10-17(23)11-13-18/h5-15,19H,3-4H2,1-2H3
InChIKeyMJPMSNYULJESPP-UHFFFAOYSA-N
MW351.42 g/mol
LogP5.17
Rot. Bonds5

About ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate

ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 101152108) has the molecular formula C22H22FNO2 and a molecular weight of 351.42 g/mol. Its IUPAC name is ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID101152108
Molecular FormulaC22H22FNO2
Molecular Weight351.42 g/mol
Exact Mass351.16
IUPAC Nameethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(CC)N(c2ccc(F)cc2)C=CC1c1ccccc1
InChIInChI=1S/C22H22FNO2/c1-3-20-21(22(25)26-4-2)19(16-8-6-5-7-9-16)14-15-24(20)18-12-10-17(23)11-13-18/h5-15,19H,3-4H2,1-2H3
InChIKeyMJPMSNYULJESPP-UHFFFAOYSA-N
XLogP5.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920424
3,5-Diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1116133
1-(3-fluorophenyl)-4-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4901500
4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 5294745
Ethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2848158
1-(4-fluorophenyl)-4-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920462
4-(4-fluorophenyl)-1-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920415
Dimethyl 2-(4-fluorophenyl)-6-methyl-4-(4-toluidino)-3,5-cyclohexadiene-1,3-dicarboxylate
CID 3384009
ethyl 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
CID 6263418
ethyl (2S,6R)-4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 101562530
1-(3,4-Dimethyl-phenyl)-4-(2-fluoro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
CID 630047
Propyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 647313

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate (CID 101152108) is ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate is CCOC(=O)C1=C(CC)N(c2ccc(F)cc2)C=CC1c1ccccc1.
What is the InChIKey of ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is MJPMSNYULJESPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO2/c1-3-20-21(22(25)26-4-2)19(16-8-6-5-7-9-16)14-15-24(20)18-12-10-17(23)11-13-18/h5-15,19H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate?
ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 351.42 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-1-(4-fluorophenyl)-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 101152108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).