2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H23N5O4S — CID 8639413

IUPAC2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C17H23N5O4S/c1-12-17(13(2)20(3)19-12)18-15(23)11-21-10-14(6-7-16(21)24)27(25,26)22-8-4-5-9-22/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,23)
InChIKeyFCHNMAYGTFNGRG-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.62
Rot. Bonds5

About 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 8639413) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID8639413
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC Name2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C17H23N5O4S/c1-12-17(13(2)20(3)19-12)18-15(23)11-21-10-14(6-7-16(21)24)27(25,26)22-8-4-5-9-22/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,23)
InChIKeyFCHNMAYGTFNGRG-UHFFFAOYSA-N
XLogP0.62
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992765
N-(4-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170608
N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170604
N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992594
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53170639
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
N,N-diethyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170602
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
1-[2-(4-methylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 30343739

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 8639413) is 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O.
What is the InChIKey of 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is FCHNMAYGTFNGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-12-17(13(2)20(3)19-12)18-15(23)11-21-10-14(6-7-16(21)24)27(25,26)22-8-4-5-9-22/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,23).
What are the key properties of 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 393.47 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 8639413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).