N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C15H19N5O3S — CID 110095695

IUPACN-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(C2CCCN2S(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C15H19N5O3S/c1-11(21)16-8-12-4-2-5-14(19-12)15-6-3-7-20(15)24(22,23)13-9-17-18-10-13/h2,4-5,9-10,15H,3,6-8H2,1H3,(H,16,21)(H,17,18)
InChIKeyUJDWZVOQYONASA-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.97
Rot. Bonds5

About N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 110095695) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID110095695
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(C2CCCN2S(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C15H19N5O3S/c1-11(21)16-8-12-4-2-5-14(19-12)15-6-3-7-20(15)24(22,23)13-9-17-18-10-13/h2,4-5,9-10,15H,3,6-8H2,1H3,(H,16,21)(H,17,18)
InChIKeyUJDWZVOQYONASA-UHFFFAOYSA-N
XLogP0.97
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125003728
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 60960045
N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124964524
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125024071
N-[[6-[1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095780
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019005
N,N-dimethyl-1-[2-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117222
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506
N-[[6-[1-(2-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107813
N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 95846105
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107796

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 110095695) is N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc(C2CCCN2S(=O)(=O)c2cn[nH]c2)n1.
What is the InChIKey of N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is UJDWZVOQYONASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-11(21)16-8-12-4-2-5-14(19-12)15-6-3-7-20(15)24(22,23)13-9-17-18-10-13/h2,4-5,9-10,15H,3,6-8H2,1H3,(H,16,21)(H,17,18).
What are the key properties of N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 349.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110095695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).