N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide

C19H21N3O3 — CID 113120287

IUPACN-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(Cc2ccccn2)C(C)=O)cc1
InChIInChI=1S/C19H21N3O3/c1-14(23)16-6-8-17(9-7-16)21-19(25)10-12-22(15(2)24)13-18-5-3-4-11-20-18/h3-9,11H,10,12-13H2,1-2H3,(H,21,25)
InChIKeySTZXUHRWIOAARC-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.66
Rot. Bonds7

About N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide

N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide (PubChem CID 113120287) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
PubChem CID113120287
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(Cc2ccccn2)C(C)=O)cc1
InChIInChI=1S/C19H21N3O3/c1-14(23)16-6-8-17(9-7-16)21-19(25)10-12-22(15(2)24)13-18-5-3-4-11-20-18/h3-9,11H,10,12-13H2,1-2H3,(H,21,25)
InChIKeySTZXUHRWIOAARC-UHFFFAOYSA-N
XLogP2.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113120324
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113120301
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113120316
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113120272
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196
3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
CID 113116053
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
N-(4-acetylphenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
CID 5108873
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide (CID 113120287) is N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide is CC(=O)c1ccc(NC(=O)CCN(Cc2ccccn2)C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide?
The InChIKey is STZXUHRWIOAARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14(23)16-6-8-17(9-7-16)21-19(25)10-12-22(15(2)24)13-18-5-3-4-11-20-18/h3-9,11H,10,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide?
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 113120287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).