2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide

C13H20N4O — CID 82034957

IUPAC2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
SMILESCC1CCCN(c2ccc(NC(=O)CN)cn2)C1
InChIInChI=1S/C13H20N4O/c1-10-3-2-6-17(9-10)12-5-4-11(8-15-12)16-13(18)7-14/h4-5,8,10H,2-3,6-7,9,14H2,1H3,(H,16,18)
InChIKeyYLIWFJDFSRAFCV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds3

About 2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide

2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide (PubChem CID 82034957) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
PubChem CID82034957
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
SMILESCC1CCCN(c2ccc(NC(=O)CN)cn2)C1
InChIInChI=1S/C13H20N4O/c1-10-3-2-6-17(9-10)12-5-4-11(8-15-12)16-13(18)7-14/h4-5,8,10H,2-3,6-7,9,14H2,1H3,(H,16,18)
InChIKeyYLIWFJDFSRAFCV-UHFFFAOYSA-N
XLogP1.22
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide (CID 82034957) is 2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide is CC1CCCN(c2ccc(NC(=O)CN)cn2)C1.
What is the InChIKey of 2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is YLIWFJDFSRAFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-3-2-6-17(9-10)12-5-4-11(8-15-12)16-13(18)7-14/h4-5,8,10H,2-3,6-7,9,14H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide?
2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 82034957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).