2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

C12H20N4O3S — CID 91629669

IUPAC2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cnn2c1CCCC2)S(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-15(20(2,18)19)9-12(17)13-7-10-8-14-16-6-4-3-5-11(10)16/h8H,3-7,9H2,1-2H3,(H,13,17)
InChIKeyDRIXKUVGOXRIMT-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.27
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide (PubChem CID 91629669) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
PubChem CID91629669
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cnn2c1CCCC2)S(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-15(20(2,18)19)9-12(17)13-7-10-8-14-16-6-4-3-5-11(10)16/h8H,3-7,9H2,1-2H3,(H,13,17)
InChIKeyDRIXKUVGOXRIMT-UHFFFAOYSA-N
XLogP-0.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide (CID 91629669) is 2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide is CN(CC(=O)NCc1cnn2c1CCCC2)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is DRIXKUVGOXRIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-15(20(2,18)19)9-12(17)13-7-10-8-14-16-6-4-3-5-11(10)16/h8H,3-7,9H2,1-2H3,(H,13,17).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 300.38 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 91629669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).