1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide

C19H23N3O4S — CID 39991070

IUPAC1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccn(C)c(=O)c3)cc2)CC1
InChIInChI=1S/C19H23N3O4S/c1-14-7-11-22(12-8-14)27(25,26)17-5-3-16(4-6-17)20-19(24)15-9-10-21(2)18(23)13-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,20,24)
InChIKeyMIXVCYWRXTUHEJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.06
Rot. Bonds4

About 1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide

1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide (PubChem CID 39991070) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide
PubChem CID39991070
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccn(C)c(=O)c3)cc2)CC1
InChIInChI=1S/C19H23N3O4S/c1-14-7-11-22(12-8-14)27(25,26)17-5-3-16(4-6-17)20-19(24)15-9-10-21(2)18(23)13-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,20,24)
InChIKeyMIXVCYWRXTUHEJ-UHFFFAOYSA-N
XLogP2.06
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 31512558
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide
CID 1011635
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide
CID 9328413
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 9492793
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide (CID 39991070) is 1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccn(C)c(=O)c3)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide?
The InChIKey is MIXVCYWRXTUHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-7-11-22(12-8-14)27(25,26)17-5-3-16(4-6-17)20-19(24)15-9-10-21(2)18(23)13-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,20,24).
What are the key properties of 1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide?
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 39991070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).