methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate

C19H23N3O4S — CID 126506727

IUPACmethyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNS(=O)(=O)C2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C19H23N3O4S/c1-26-19(23)15-7-8-16(20-13-15)14-21-27(24,25)18-9-11-22(12-10-18)17-5-3-2-4-6-17/h2-8,13,18,21H,9-12,14H2,1H3
InChIKeyBZVZVJIFLCCVOZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.96
Rot. Bonds6

About methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate

methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate (PubChem CID 126506727) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate
PubChem CID126506727
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Namemethyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNS(=O)(=O)C2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C19H23N3O4S/c1-26-19(23)15-7-8-16(20-13-15)14-21-27(24,25)18-9-11-22(12-10-18)17-5-3-2-4-6-17/h2-8,13,18,21H,9-12,14H2,1H3
InChIKeyBZVZVJIFLCCVOZ-UHFFFAOYSA-N
XLogP1.96
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[[1-(3-chlorophenyl)piperidin-4-yl]sulfonylamino]methyl]benzoate;hydrochloride
CID 126507606
methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate
CID 126541031
methyl 6-[[(2-phenylpiperazin-1-yl)sulfonylamino]methyl]pyridine-3-carboxylate
CID 126507736
methyl 6-[[[(3S,5R)-4-acetyl-3,5-dimethyl-1-phenylpiperazin-1-ium-1-yl]sulfonylamino]methyl]pyridine-3-carboxylate
CID 126509006
methyl 6-[[[1-(3-chlorophenyl)-1-(3-hydroxycyclobutyl)piperidin-1-ium-4-yl]sulfonylamino]methyl]pyridine-3-carboxylate
CID 126506260
methyl 6-[[3-(1-phenylpyrrolidin-1-ium-1-yl)propylsulfonylamino]methyl]pyridine-3-carboxylate
CID 126507684
methyl 6-[[[1-(3-chlorophenyl)-4-cyclobutylpiperazin-1-ium-1-yl]sulfonylamino]methyl]pyridine-3-carboxylate
CID 126508853
methyl 6-[[[2-(3-methylphenyl)piperazin-1-yl]sulfonylamino]methyl]pyridine-3-carboxylate;hydrochloride
CID 126507457
[4-(benzylsulfamoyl)piperidin-1-yl] benzoate
CID 147007138
methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate
CID 106132514
methyl 4-[3-(4-phenylpiperazin-1-yl)propylsulfamoylmethyl]benzoate
CID 140904101
methyl 6-[(N-[(3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl]sulfonylanilino)methyl]pyridine-3-carboxylate
CID 126545796

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate (CID 126506727) is methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNS(=O)(=O)C2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate?
The InChIKey is BZVZVJIFLCCVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-19(23)15-7-8-16(20-13-15)14-21-27(24,25)18-9-11-22(12-10-18)17-5-3-2-4-6-17/h2-8,13,18,21H,9-12,14H2,1H3.
What are the key properties of methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate?
methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate has a molecular weight of 389.48 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 126506727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).