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

C18H21N3O2 — CID 113163650

IUPAC2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(Cc1cccnc1)C(C)=O
InChIInChI=1S/C18H21N3O2/c1-3-16-8-4-5-9-17(16)20-18(23)13-21(14(2)22)12-15-7-6-10-19-11-15/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyGBRGLRTZZDHFLW-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.63
Rot. Bonds6

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

2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide (PubChem CID 113163650) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
PubChem CID113163650
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(Cc1cccnc1)C(C)=O
InChIInChI=1S/C18H21N3O2/c1-3-16-8-4-5-9-17(16)20-18(23)13-21(14(2)22)12-15-7-6-10-19-11-15/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyGBRGLRTZZDHFLW-UHFFFAOYSA-N
XLogP2.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide
CID 113162771
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
CID 113120428
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 113163707
1-[(2-chlorophenyl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4089369
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113163658
N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023680
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163737
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163672
2-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113163705

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide (CID 113163650) is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(Cc1cccnc1)C(C)=O.
What is the InChIKey of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide?
The InChIKey is GBRGLRTZZDHFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-16-8-4-5-9-17(16)20-18(23)13-21(14(2)22)12-15-7-6-10-19-11-15/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide?
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 113163650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).