N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide

C13H20N4O3S — CID 110257937

IUPACN-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide
SMILESCNC(=O)CCc1cnc(C2CCCN2S(C)(=O)=O)cn1
InChIInChI=1S/C13H20N4O3S/c1-14-13(18)6-5-10-8-16-11(9-15-10)12-4-3-7-17(12)21(2,19)20/h8-9,12H,3-7H2,1-2H3,(H,14,18)
InChIKeyMYCWVZBNRGKANC-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.25
Rot. Bonds5

About N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide

N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide (PubChem CID 110257937) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide
PubChem CID110257937
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide
SMILESCNC(=O)CCc1cnc(C2CCCN2S(C)(=O)=O)cn1
InChIInChI=1S/C13H20N4O3S/c1-14-13(18)6-5-10-8-16-11(9-15-10)12-4-3-7-17(12)21(2,19)20/h8-9,12H,3-7H2,1-2H3,(H,14,18)
InChIKeyMYCWVZBNRGKANC-UHFFFAOYSA-N
XLogP0.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanoic acid
CID 66510110
N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
CID 95826583
3-[6-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-methylpropanamide
CID 110269727
2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine
CID 175658463
4-[6-(1-methylsulfonylpyrrolidin-2-yl)-3-pyridinyl]benzoic acid
CID 110096594
N-methyl-3-[6-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]propanamide
CID 110269724
3-[6-methyl-2-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 95826563
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391
3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
CID 95804870
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95817970
N-methyl-3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-amine
CID 110269291
3-[5-(1-methylpiperidin-4-yl)pyrazin-2-yl]propanoic acid
CID 73439559

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide?
The IUPAC name of N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide (CID 110257937) is N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide.
What is the SMILES notation for N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide?
The canonical SMILES for N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide is CNC(=O)CCc1cnc(C2CCCN2S(C)(=O)=O)cn1.
What is the InChIKey of N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide?
The InChIKey is MYCWVZBNRGKANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-14-13(18)6-5-10-8-16-11(9-15-10)12-4-3-7-17(12)21(2,19)20/h8-9,12H,3-7H2,1-2H3,(H,14,18).
What are the key properties of N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide?
N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide has a molecular weight of 312.40 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide is sourced from PubChem (CID 110257937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).