3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide

C16H19N2O+ — CID 4543861

IUPAC3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide
SMILESCC[n+]1ccccc1CCC(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O/c1-2-18-13-7-6-10-15(18)11-12-16(19)17-14-8-4-3-5-9-14/h3-10,13H,2,11-12H2,1H3/p+1
InChIKeyHDQKMHGCRKZLFV-UHFFFAOYSA-O
MW255.34 g/mol
LogP2.57
Rot. Bonds5

About 3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide

3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide (PubChem CID 4543861) has the molecular formula C16H19N2O+ and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide
PubChem CID4543861
Molecular FormulaC16H19N2O+
Molecular Weight255.34 g/mol
Exact Mass255.15
IUPAC Name3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide
SMILESCC[n+]1ccccc1CCC(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O/c1-2-18-13-7-6-10-15(18)11-12-16(19)17-14-8-4-3-5-9-14/h3-10,13H,2,11-12H2,1H3/p+1
InChIKeyHDQKMHGCRKZLFV-UHFFFAOYSA-O
XLogP2.57
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
(3-anilino-3-oxopropyl)-dimethylsulfanium
CID 10786108
3-ethylsulfinyl-N-phenylpropanamide
CID 143299200
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-phenylpentacosanamide
CID 19025260
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697
N-phenylheptatetracontanamide
CID 150503307
3-fluoro-N-phenylpropanamide
CID 70366284
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-2-yl)amino]phenyl]benzene-1,4-dicarboxamide
CID 21128058
ethane;methane;N-phenylpropanamide
CID 159778408
4-(4-anilinoanilino)-4-oxobutanoic acid
CID 3582838

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide?
The IUPAC name of 3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide (CID 4543861) is 3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide is CC[n+]1ccccc1CCC(=O)Nc1ccccc1.
What is the InChIKey of 3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide?
The InChIKey is HDQKMHGCRKZLFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N2O/c1-2-18-13-7-6-10-15(18)11-12-16(19)17-14-8-4-3-5-9-14/h3-10,13H,2,11-12H2,1H3/p+1.
What are the key properties of 3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide?
3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide has a molecular weight of 255.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyridin-1-ium-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 4543861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).