2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide

C17H19N3O2 — CID 113163640

IUPAC2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1cccnc1
InChIInChI=1S/C17H19N3O2/c1-13-5-7-16(8-6-13)19-17(22)12-20(14(2)21)11-15-4-3-9-18-10-15/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyNBZKQFPMKZJWFZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.38
Rot. Bonds5

About 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide

2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 113163640) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID113163640
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1cccnc1
InChIInChI=1S/C17H19N3O2/c1-13-5-7-16(8-6-13)19-17(22)12-20(14(2)21)11-15-4-3-9-18-10-15/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyNBZKQFPMKZJWFZ-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 113163707
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783
2-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113163705
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163672
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163737
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
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113120489
1-[(4-methylphenyl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 5147202
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 4070113
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide (CID 113163640) is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1cccnc1.
What is the InChIKey of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is NBZKQFPMKZJWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-5-7-16(8-6-13)19-17(22)12-20(14(2)21)11-15-4-3-9-18-10-15/h3-10H,11-12H2,1-2H3,(H,19,22).
What are the key properties of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide?
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.38, 5 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 113163640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).