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

C19H22N4O3 — CID 113120288

IUPACN-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(Cc2ccccn2)C(C)=O)c1
InChIInChI=1S/C19H22N4O3/c1-14(24)21-16-7-5-8-17(12-16)22-19(26)9-11-23(15(2)25)13-18-6-3-4-10-20-18/h3-8,10,12H,9,11,13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyNFIQMHTXUVQXEY-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.42
Rot. Bonds7

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

N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide (PubChem CID 113120288) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
PubChem CID113120288
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(Cc2ccccn2)C(C)=O)c1
InChIInChI=1S/C19H22N4O3/c1-14(24)21-16-7-5-8-17(12-16)22-19(26)9-11-23(15(2)25)13-18-6-3-4-10-20-18/h3-8,10,12H,9,11,13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyNFIQMHTXUVQXEY-UHFFFAOYSA-N
XLogP2.42
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113120324
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139844
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113120316
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113120272
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113120301
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163539
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113120329
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide (CID 113120288) is N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide is CC(=O)Nc1cccc(NC(=O)CCN(Cc2ccccn2)C(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide?
The InChIKey is NFIQMHTXUVQXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14(24)21-16-7-5-8-17(12-16)22-19(26)9-11-23(15(2)25)13-18-6-3-4-10-20-18/h3-8,10,12H,9,11,13H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide?
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 113120288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).