N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide

C14H22N4O3S — CID 95825750

IUPACN-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide
SMILESCNC(=O)CNc1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C14H22N4O3S/c1-15-14(19)9-16-13-7-3-6-12(17-13)11-5-4-8-18(10-11)22(2,20)21/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,15,19)(H,16,17)/t11-/m1/s1
InChIKeyTYAUISLMIJKCSU-LLVKDONJSA-N
MW326.42 g/mol
LogP0.38
Rot. Bonds5

About N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide

N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide (PubChem CID 95825750) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide
PubChem CID95825750
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide
SMILESCNC(=O)CNc1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C14H22N4O3S/c1-15-14(19)9-16-13-7-3-6-12(17-13)11-5-4-8-18(10-11)22(2,20)21/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,15,19)(H,16,17)/t11-/m1/s1
InChIKeyTYAUISLMIJKCSU-LLVKDONJSA-N
XLogP0.38
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide?
The IUPAC name of N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide (CID 95825750) is N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide is CNC(=O)CNc1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide?
The InChIKey is TYAUISLMIJKCSU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-15-14(19)9-16-13-7-3-6-12(17-13)11-5-4-8-18(10-11)22(2,20)21/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,15,19)(H,16,17)/t11-/m1/s1.
What are the key properties of N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide?
N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide has a molecular weight of 326.42 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 95825750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).