2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide

C17H24N4O2S — CID 119452985

IUPAC2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
SMILESCC(Sc1ncccc1C(=O)NC1CCNC1)C(=O)N1CCCC1
InChIInChI=1S/C17H24N4O2S/c1-12(17(23)21-9-2-3-10-21)24-16-14(5-4-7-19-16)15(22)20-13-6-8-18-11-13/h4-5,7,12-13,18H,2-3,6,8-11H2,1H3,(H,20,22)
InChIKeyIYQUNTAIVAHLGB-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.28
Rot. Bonds5

About 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide

2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide (PubChem CID 119452985) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
PubChem CID119452985
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
SMILESCC(Sc1ncccc1C(=O)NC1CCNC1)C(=O)N1CCCC1
InChIInChI=1S/C17H24N4O2S/c1-12(17(23)21-9-2-3-10-21)24-16-14(5-4-7-19-16)15(22)20-13-6-8-18-11-13/h4-5,7,12-13,18H,2-3,6,8-11H2,1H3,(H,20,22)
InChIKeyIYQUNTAIVAHLGB-UHFFFAOYSA-N
XLogP1.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide
CID 120576283
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119448048
(2S)-2-[[2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carbonyl]amino]propanoic acid
CID 119943356
N-[(2S)-1-aminopropan-2-yl]-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide;dihydrochloride
CID 120507456
2-[[3-[4-(1-aminoethyl)piperidine-1-carbonyl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 119519814
2-[[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 119638215
N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810
2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
N-[4-(imidazol-1-ylmethyl)phenyl]-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide
CID 86880663
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119452695
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide
CID 119427657
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide (CID 119452985) is 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide is CC(Sc1ncccc1C(=O)NC1CCNC1)C(=O)N1CCCC1.
What is the InChIKey of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The InChIKey is IYQUNTAIVAHLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(17(23)21-9-2-3-10-21)24-16-14(5-4-7-19-16)15(22)20-13-6-8-18-11-13/h4-5,7,12-13,18H,2-3,6,8-11H2,1H3,(H,20,22).
What are the key properties of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide?
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-N-pyrrolidin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 119452985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).