methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate

C20H25N3O4S — CID 126541031

IUPACmethyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)C2CCN(C)CC2)nc1
InChIInChI=1S/C20H25N3O4S/c1-22-12-10-19(11-13-22)28(25,26)23(18-6-4-3-5-7-18)15-17-9-8-16(14-21-17)20(24)27-2/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyBFMGSPYRJRVDTH-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.30
Rot. Bonds6

About methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate

methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate (PubChem CID 126541031) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate
PubChem CID126541031
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Namemethyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)C2CCN(C)CC2)nc1
InChIInChI=1S/C20H25N3O4S/c1-22-12-10-19(11-13-22)28(25,26)23(18-6-4-3-5-7-18)15-17-9-8-16(14-21-17)20(24)27-2/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyBFMGSPYRJRVDTH-UHFFFAOYSA-N
XLogP2.30
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(N-cyclohexylsulfonyl-3-methylanilino)methyl]pyridine-3-carboxylate
CID 158475831
methyl 6-[(N-[(3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl]sulfonylanilino)methyl]pyridine-3-carboxylate
CID 126545796
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylethanesulfonamide;methyl 6-[(N-ethylsulfonylanilino)methyl]pyridine-3-carboxylate
CID 159244347
methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate
CID 126506727
methyl 6-[(3-chloro-4-fluoro-N-[1-(oxetan-3-yl)piperidin-4-yl]sulfonylanilino)methyl]pyridine-3-carboxylate
CID 126541103
2,2-difluoro-N-[2-[6-[(N-(4-methylpiperazin-1-yl)sulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide
CID 158652047
methyl 6-[(N-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anilino)methyl]pyridine-3-carboxylate
CID 140894648
methyl 6-[(2-fluoro-N-(4-methylpiperazine-1-carbonyl)anilino)methyl]pyridine-3-carboxylate
CID 140894384
2,2-difluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide
CID 158180902
tert-butyl 4-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl-(3-methylphenyl)sulfamoyl]piperidine-1-carboxylate
CID 126506125
ethane;methyl 6-[(3-cyclopropyl-N-ethylsulfonyl-4-methylanilino)methyl]pyridine-3-carboxylate
CID 145238586
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide
CID 126509045

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate (CID 126541031) is methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)C2CCN(C)CC2)nc1.
What is the InChIKey of methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate?
The InChIKey is BFMGSPYRJRVDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-22-12-10-19(11-13-22)28(25,26)23(18-6-4-3-5-7-18)15-17-9-8-16(14-21-17)20(24)27-2/h3-9,14,19H,10-13,15H2,1-2H3.
What are the key properties of methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate?
methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate has a molecular weight of 403.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 126541031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).