methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate

C20H22FN3O3 — CID 159535678

IUPACmethyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2ccccc2F)nc1
InChIInChI=1S/C20H22FN3O3/c1-27-19(25)15-9-10-16(22-13-15)14-24(18-8-4-3-7-17(18)21)20(26)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3
InChIKeyZQCFGCJXQZATSG-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.62
Rot. Bonds4

About methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate

methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate (PubChem CID 159535678) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate
PubChem CID159535678
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Namemethyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2ccccc2F)nc1
InChIInChI=1S/C20H22FN3O3/c1-27-19(25)15-9-10-16(22-13-15)14-24(18-8-4-3-7-17(18)21)20(26)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3
InChIKeyZQCFGCJXQZATSG-UHFFFAOYSA-N
XLogP3.62
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate (CID 159535678) is methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2ccccc2F)nc1.
What is the InChIKey of methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate?
The InChIKey is ZQCFGCJXQZATSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-27-19(25)15-9-10-16(22-13-15)14-24(18-8-4-3-7-17(18)21)20(26)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3.
What are the key properties of methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate?
methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate has a molecular weight of 371.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-fluoro-N-(piperidine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 159535678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).