N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

C19H23N3O2 — CID 109026236

IUPACN-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C)CCc2ccncc2)c1
InChIInChI=1S/C19H23N3O2/c1-15(23)17-4-3-5-18(14-17)21-19(24)9-13-22(2)12-8-16-6-10-20-11-7-16/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,21,24)
InChIKeyGCQUXARRIAAXEP-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds8

About N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (PubChem CID 109026236) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
PubChem CID109026236
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(C)CCc2ccncc2)c1
InChIInChI=1S/C19H23N3O2/c1-15(23)17-4-3-5-18(14-17)21-19(24)9-13-22(2)12-8-16-6-10-20-11-7-16/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,21,24)
InChIKeyGCQUXARRIAAXEP-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026283
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026232
N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237130
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 109026200
N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024328
4-(3-acetylanilino)-4-oxobutanoate
CID 3285979

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (CID 109026236) is N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is CC(=O)c1cccc(NC(=O)CCN(C)CCc2ccncc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The InChIKey is GCQUXARRIAAXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(23)17-4-3-5-18(14-17)21-19(24)9-13-22(2)12-8-16-6-10-20-11-7-16/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide has a molecular weight of 325.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 109026236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).