N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C16H17N5O2 — CID 91762097

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc2nonc2c1)Cc1cccnc1
InChIInChI=1S/C16H17N5O2/c1-21(10-13-3-2-6-17-8-13)11-16(22)18-9-12-4-5-14-15(7-12)20-23-19-14/h2-8H,9-11H2,1H3,(H,18,22)
InChIKeyQGEWSBZDEHSJNT-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.37
Rot. Bonds6

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 91762097) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID91762097
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc2nonc2c1)Cc1cccnc1
InChIInChI=1S/C16H17N5O2/c1-21(10-13-3-2-6-17-8-13)11-16(22)18-9-12-4-5-14-15(7-12)20-23-19-14/h2-8H,9-11H2,1H3,(H,18,22)
InChIKeyQGEWSBZDEHSJNT-UHFFFAOYSA-N
XLogP1.37
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 133121337
2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 118782931
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-methyl-3-(pyridin-3-ylmethylamino)benzamide
CID 50979648
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide
CID 131897637
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 136607663
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 135088813
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 91762097) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is CN(CC(=O)NCc1ccc2nonc2c1)Cc1cccnc1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is QGEWSBZDEHSJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-21(10-13-3-2-6-17-8-13)11-16(22)18-9-12-4-5-14-15(7-12)20-23-19-14/h2-8H,9-11H2,1H3,(H,18,22).
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 311.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 91762097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).