2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide

C26H29N3O4S — CID 46068582

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C26H29N3O4S/c1-19-12-13-23(26(30)27-18-21-8-6-7-11-24(21)33-2)25(28-19)20-14-16-29(17-15-20)34(31,32)22-9-4-3-5-10-22/h3-13,20H,14-18H2,1-2H3,(H,27,30)
InChIKeyFULKJBUXNJDBDC-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.90
Rot. Bonds7

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 46068582) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID46068582
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C26H29N3O4S/c1-19-12-13-23(26(30)27-18-21-8-6-7-11-24(21)33-2)25(28-19)20-14-16-29(17-15-20)34(31,32)22-9-4-3-5-10-22/h3-13,20H,14-18H2,1-2H3,(H,27,30)
InChIKeyFULKJBUXNJDBDC-UHFFFAOYSA-N
XLogP3.90
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide (CID 46068582) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is FULKJBUXNJDBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-19-12-13-23(26(30)27-18-21-8-6-7-11-24(21)33-2)25(28-19)20-14-16-29(17-15-20)34(31,32)22-9-4-3-5-10-22/h3-13,20H,14-18H2,1-2H3,(H,27,30).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 46068582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).