3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide

C19H23N3O2 — CID 113125365

IUPAC3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(N(CCC(=O)NCc2cccnc2)C(C)=O)cc1
InChIInChI=1S/C19H23N3O2/c1-3-16-6-8-18(9-7-16)22(15(2)23)12-10-19(24)21-14-17-5-4-11-20-13-17/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,21,24)
InChIKeyDNQDXBUDCSDBKF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.70
Rot. Bonds7

About 3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide

3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113125365) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113125365
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(N(CCC(=O)NCc2cccnc2)C(C)=O)cc1
InChIInChI=1S/C19H23N3O2/c1-3-16-6-8-18(9-7-16)22(15(2)23)12-10-19(24)21-14-17-5-4-11-20-13-17/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,21,24)
InChIKeyDNQDXBUDCSDBKF-UHFFFAOYSA-N
XLogP2.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125538
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113134300
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852
3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113126859
3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113130817
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 113125365) is 3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide is CCc1ccc(N(CCC(=O)NCc2cccnc2)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is DNQDXBUDCSDBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-16-6-8-18(9-7-16)22(15(2)23)12-10-19(24)21-14-17-5-4-11-20-13-17/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113125365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).