N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide

C20H25N3O5S — CID 46972391

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)n(C)c1=O
InChIInChI=1S/C20H25N3O5S/c1-14-7-9-16(20(25)22(14)2)19(24)21-17-13-15(8-10-18(17)28-3)29(26,27)23-11-5-4-6-12-23/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,24)
InChIKeyLQBPGENQAVWFCQ-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.13
Rot. Bonds5

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 46972391) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID46972391
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)n(C)c1=O
InChIInChI=1S/C20H25N3O5S/c1-14-7-9-16(20(25)22(14)2)19(24)21-17-13-15(8-10-18(17)28-3)29(26,27)23-11-5-4-6-12-23/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,24)
InChIKeyLQBPGENQAVWFCQ-UHFFFAOYSA-N
XLogP2.13
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfanylbenzamide
CID 16615167
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 8746944
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrobenzamide
CID 26065828
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide (CID 46972391) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)n(C)c1=O.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is LQBPGENQAVWFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14-7-9-16(20(25)22(14)2)19(24)21-17-13-15(8-10-18(17)28-3)29(26,27)23-11-5-4-6-12-23/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 46972391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).