2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide

C16H18N4O2 — CID 113163586

IUPAC2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1cccnc1)Cc1cccnc1
InChIInChI=1S/C16H18N4O2/c1-13(21)20(11-15-5-3-7-18-9-15)12-16(22)19-10-14-4-2-6-17-8-14/h2-9H,10-12H2,1H3,(H,19,22)
InChIKeyZSFYFQAAGUMXDC-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.14
Rot. Bonds6

About 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide

2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113163586) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113163586
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1cccnc1)Cc1cccnc1
InChIInChI=1S/C16H18N4O2/c1-13(21)20(11-15-5-3-7-18-9-15)12-16(22)19-10-14-4-2-6-17-8-14/h2-9H,10-12H2,1H3,(H,19,22)
InChIKeyZSFYFQAAGUMXDC-UHFFFAOYSA-N
XLogP1.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113160421
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
CID 113163650
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 113163707
2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113163658
2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 5128594
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113163778
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113163569
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide (CID 113163586) is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1cccnc1)Cc1cccnc1.
What is the InChIKey of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZSFYFQAAGUMXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-13(21)20(11-15-5-3-7-18-9-15)12-16(22)19-10-14-4-2-6-17-8-14/h2-9H,10-12H2,1H3,(H,19,22).
What are the key properties of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113163586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).