methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate

C19H21FN2O2 — CID 122527209

IUPACmethyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(N2CCC(C)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-13-7-9-22(10-8-13)16-11-17(14-3-5-15(20)6-4-14)18(21-12-16)19(23)24-2/h3-6,11-13H,7-10H2,1-2H3
InChIKeyQXALZLGSVTXRQO-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.91
Rot. Bonds3

About methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate

methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate (PubChem CID 122527209) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate
PubChem CID122527209
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namemethyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(N2CCC(C)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-13-7-9-22(10-8-13)16-11-17(14-3-5-15(20)6-4-14)18(21-12-16)19(23)24-2/h3-6,11-13H,7-10H2,1-2H3
InChIKeyQXALZLGSVTXRQO-UHFFFAOYSA-N
XLogP3.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
3-(4-Fluorophenyl)-1-methyl-5-(4-methyl-1-piperazinyl)-4-(4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 10386733
Methyl 5-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419766
Methyl 3-(4-fluorophenyl)-1-methyl-5-(4-propylpiperazin-1-yl)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419771
3-(4-Fluorophenyl)-1-methyl-4-(4-pyridinyl)-5-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 44419781
Erymelanthine
CID 44570488
Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 12088573
Ethyl 9-benzyl-beta-carboline-3-carboxylate
CID 13383905
Ethyl 9-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 16092377
ethyl 9-pentyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 56651696
US10513493, Example 21
CID 118302012
methyl 3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,5]naphthyridin-7-yl]pyridine-2-carboxylate
CID 145453032

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate (CID 122527209) is methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate is COC(=O)c1ncc(N2CCC(C)CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate?
The InChIKey is QXALZLGSVTXRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-7-9-22(10-8-13)16-11-17(14-3-5-15(20)6-4-14)18(21-12-16)19(23)24-2/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate?
methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 122527209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).