N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide

C20H25N3O5S — CID 91954882

IUPACN-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H25N3O5S/c1-28-13-14-29(26,27)22-11-9-17(10-12-22)21-20(25)16-7-8-19(24)23(15-16)18-5-3-2-4-6-18/h2-8,15,17H,9-14H2,1H3,(H,21,25)
InChIKeySFANZJNGCRXPNC-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.01
Rot. Bonds7

About N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide

N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 91954882) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide
PubChem CID91954882
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H25N3O5S/c1-28-13-14-29(26,27)22-11-9-17(10-12-22)21-20(25)16-7-8-19(24)23(15-16)18-5-3-2-4-6-18/h2-8,15,17H,9-14H2,1H3,(H,21,25)
InChIKeySFANZJNGCRXPNC-UHFFFAOYSA-N
XLogP1.01
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954874
N-(4-hydroxycyclohexyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 100815207
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
CID 75537873
1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one
CID 91954866
N-cyclohexyl-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91945533
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 75537864
ethane;N-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 142575628
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62716437
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide (CID 91954882) is N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide is COCCS(=O)(=O)N1CCC(NC(=O)c2ccc(=O)n(-c3ccccc3)c2)CC1.
What is the InChIKey of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is SFANZJNGCRXPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-28-13-14-29(26,27)22-11-9-17(10-12-22)21-20(25)16-7-8-19(24)23(15-16)18-5-3-2-4-6-18/h2-8,15,17H,9-14H2,1H3,(H,21,25).
What are the key properties of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide?
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 91954882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).