2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C18H19N5O2 — CID 70734680

IUPAC2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1nn(CC(=O)NCc2cccnc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H19N5O2/c1-14-21-23(13-17(24)20-11-16-8-5-9-19-10-16)18(25)22(14)12-15-6-3-2-4-7-15/h2-10H,11-13H2,1H3,(H,20,24)
InChIKeyDCPOTKNEJGDUQO-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.11
Rot. Bonds6

About 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 70734680) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID70734680
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1nn(CC(=O)NCc2cccnc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H19N5O2/c1-14-21-23(13-17(24)20-11-16-8-5-9-19-10-16)18(25)22(14)12-15-6-3-2-4-7-15/h2-10H,11-13H2,1H3,(H,20,24)
InChIKeyDCPOTKNEJGDUQO-UHFFFAOYSA-N
XLogP1.11
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 70734854
N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide
CID 121116890
2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50755367
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
4-benzyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,2,4-triazol-3-one
CID 70718408
2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 70733954
4-benzyl-3,5-dioxo-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46005493
N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 20875995

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 70734680) is 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is Cc1nn(CC(=O)NCc2cccnc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DCPOTKNEJGDUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-14-21-23(13-17(24)20-11-16-8-5-9-19-10-16)18(25)22(14)12-15-6-3-2-4-7-15/h2-10H,11-13H2,1H3,(H,20,24).
What are the key properties of 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 337.38 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 2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 70734680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).