3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide

C19H21N3O3 — CID 113130817

IUPAC3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)c1ccc(N(CCC(=O)NCc2ccncc2)C(C)=O)cc1
InChIInChI=1S/C19H21N3O3/c1-14(23)17-3-5-18(6-4-17)22(15(2)24)12-9-19(25)21-13-16-7-10-20-11-8-16/h3-8,10-11H,9,12-13H2,1-2H3,(H,21,25)
InChIKeyDAKWZUUGKSLFKH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.34
Rot. Bonds7

About 3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide

3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113130817) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113130817
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)c1ccc(N(CCC(=O)NCc2ccncc2)C(C)=O)cc1
InChIInChI=1S/C19H21N3O3/c1-14(23)17-3-5-18(6-4-17)22(15(2)24)12-9-19(25)21-13-16-7-10-20-11-8-16/h3-8,10-11H,9,12-13H2,1-2H3,(H,21,25)
InChIKeyDAKWZUUGKSLFKH-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113126859
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 113130831
3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125365
3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113114952
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852
N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide
CID 113130830
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 113130337
2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 113175276
N'-(4-acetylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947858
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904

Frequently Asked Questions

What is the IUPAC name of 3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide (CID 113130817) is 3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide is CC(=O)c1ccc(N(CCC(=O)NCc2ccncc2)C(C)=O)cc1.
What is the InChIKey of 3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is DAKWZUUGKSLFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14(23)17-3-5-18(6-4-17)22(15(2)24)12-9-19(25)21-13-16-7-10-20-11-8-16/h3-8,10-11H,9,12-13H2,1-2H3,(H,21,25).
What are the key properties of 3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide?
3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113130817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).