6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride

C24H25ClFN3O2 — CID 68745791

IUPAC6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(Oc2ccc(CN3CCCC(c4ccccc4F)C3)cc2)nc1
InChIInChI=1S/C24H24FN3O2.ClH/c25-22-6-2-1-5-21(22)19-4-3-13-28(16-19)15-17-7-10-20(11-8-17)30-23-12-9-18(14-27-23)24(26)29;/h1-2,5-12,14,19H,3-4,13,15-16H2,(H2,26,29);1H
InChIKeyFISISVMOKFCEOO-UHFFFAOYSA-N
MW441.93 g/mol
LogP4.91
Rot. Bonds6

About 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride

6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride (PubChem CID 68745791) has the molecular formula C24H25ClFN3O2 and a molecular weight of 441.93 g/mol. Its IUPAC name is 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride
PubChem CID68745791
Molecular FormulaC24H25ClFN3O2
Molecular Weight441.93 g/mol
Exact Mass441.16
IUPAC Name6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(Oc2ccc(CN3CCCC(c4ccccc4F)C3)cc2)nc1
InChIInChI=1S/C24H24FN3O2.ClH/c25-22-6-2-1-5-21(22)19-4-3-13-28(16-19)15-17-7-10-20(11-8-17)30-23-12-9-18(14-27-23)24(26)29;/h1-2,5-12,14,19H,3-4,13,15-16H2,(H2,26,29);1H
InChIKeyFISISVMOKFCEOO-UHFFFAOYSA-N
XLogP4.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.93
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 59730169
6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
CID 59730242
6-[4-[[(3R)-1-benzylpyrrolidin-3-yl]iodanuidylmethyl]phenoxy]pyridine-3-carboxamide
CID 147824690
6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide
CID 59730327
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 71560809
6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 163472530
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide
CID 59729978
6-[4-[[(2S)-3,3-dimethyl-2-phenylazetidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide
CID 56849551
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride (CID 68745791) is 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride is Cl.NC(=O)c1ccc(Oc2ccc(CN3CCCC(c4ccccc4F)C3)cc2)nc1.
What is the InChIKey of 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride?
The InChIKey is FISISVMOKFCEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2.ClH/c25-22-6-2-1-5-21(22)19-4-3-13-28(16-19)15-17-7-10-20(11-8-17)30-23-12-9-18(14-27-23)24(26)29;/h1-2,5-12,14,19H,3-4,13,15-16H2,(H2,26,29);1H.
What are the key properties of 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride?
6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride has a molecular weight of 441.93 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 68745791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).