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

C17H16N4O2 — CID 113163737

IUPAC2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)Cc1cccnc1
InChIInChI=1S/C17H16N4O2/c1-13(22)21(11-15-5-3-7-19-10-15)12-17(23)20-16-6-2-4-14(8-16)9-18/h2-8,10H,11-12H2,1H3,(H,20,23)
InChIKeyIEFZJFFGEMMAPO-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.94
Rot. Bonds5

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

2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide (PubChem CID 113163737) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
PubChem CID113163737
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)Cc1cccnc1
InChIInChI=1S/C17H16N4O2/c1-13(22)21(11-15-5-3-7-19-10-15)12-17(23)20-16-6-2-4-14(8-16)9-18/h2-8,10H,11-12H2,1H3,(H,20,23)
InChIKeyIEFZJFFGEMMAPO-UHFFFAOYSA-N
XLogP1.94
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163539
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163672
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 113163707
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
CID 113163650
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113163658
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
CID 113164937
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
2-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113163705
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide (CID 113163737) is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(C#N)c1)Cc1cccnc1.
What is the InChIKey of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide?
The InChIKey is IEFZJFFGEMMAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-13(22)21(11-15-5-3-7-19-10-15)12-17(23)20-16-6-2-4-14(8-16)9-18/h2-8,10H,11-12H2,1H3,(H,20,23).
What are the key properties of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide?
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 1.94, 5 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-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113163737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).