N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

C16H22N6O — CID 56802728

IUPACN-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1Cn1cncn1)NCc1ccccn1
InChIInChI=1S/C16H22N6O/c23-16(19-9-14-5-1-3-7-18-14)11-21-8-4-2-6-15(21)10-22-13-17-12-20-22/h1,3,5,7,12-13,15H,2,4,6,8-11H2,(H,19,23)
InChIKeyWFBYWDMBSNXJJI-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.84
Rot. Bonds6

About N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 56802728) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID56802728
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1Cn1cncn1)NCc1ccccn1
InChIInChI=1S/C16H22N6O/c23-16(19-9-14-5-1-3-7-18-14)11-21-8-4-2-6-15(21)10-22-13-17-12-20-22/h1,3,5,7,12-13,15H,2,4,6,8-11H2,(H,19,23)
InChIKeyWFBYWDMBSNXJJI-UHFFFAOYSA-N
XLogP0.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 56802728) is N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is O=C(CN1CCCCC1Cn1cncn1)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is WFBYWDMBSNXJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c23-16(19-9-14-5-1-3-7-18-14)11-21-8-4-2-6-15(21)10-22-13-17-12-20-22/h1,3,5,7,12-13,15H,2,4,6,8-11H2,(H,19,23).
What are the key properties of N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56802728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).