1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide

C16H23N5O3S — CID 51248071

IUPAC1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC(C)c1nnc2ccccn12
InChIInChI=1S/C16H23N5O3S/c1-3-11-25(23,24)21-10-6-7-13(21)16(22)17-12(2)15-19-18-14-8-4-5-9-20(14)15/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,17,22)
InChIKeyRBOGSJMOURAVKA-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.11
Rot. Bonds6

About 1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide

1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 51248071) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID51248071
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC(C)c1nnc2ccccn12
InChIInChI=1S/C16H23N5O3S/c1-3-11-25(23,24)21-10-6-7-13(21)16(22)17-12(2)15-19-18-14-8-4-5-9-20(14)15/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,17,22)
InChIKeyRBOGSJMOURAVKA-UHFFFAOYSA-N
XLogP1.11
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 98598919
3-phenyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119165885
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241405
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836858
1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 136577315
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60940994
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119836866
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 102777774
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
1-(2-hydroxypentyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111337892
2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 18509091
N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134035793

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 51248071) is 1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NC(C)c1nnc2ccccn12.
What is the InChIKey of 1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is RBOGSJMOURAVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-3-11-25(23,24)21-10-6-7-13(21)16(22)17-12(2)15-19-18-14-8-4-5-9-20(14)15/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,17,22).
What are the key properties of 1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide?
1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51248071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).