2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide

C16H19N3O — CID 63590307

IUPAC2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(CN)cc1)c1ccncc1
InChIInChI=1S/C16H19N3O/c1-12(15-6-8-18-9-7-15)19-16(20)10-13-2-4-14(11-17)5-3-13/h2-9,12H,10-11,17H2,1H3,(H,19,20)
InChIKeyTZUZQIJFZGSWJT-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds5

About 2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide

2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 63590307) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID63590307
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(CN)cc1)c1ccncc1
InChIInChI=1S/C16H19N3O/c1-12(15-6-8-18-9-7-15)19-16(20)10-13-2-4-14(11-17)5-3-13/h2-9,12H,10-11,17H2,1H3,(H,19,20)
InChIKeyTZUZQIJFZGSWJT-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
2-(4-carbamothioylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 63590706
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 39964120
2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 51410979
2-amino-N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]acetamide
CID 60848302
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
3-methyl-5-oxo-5-(1-pyridin-4-ylethylamino)pentanoic acid
CID 62966418
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
CID 61278568
2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 28721742

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide (CID 63590307) is 2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide is CC(NC(=O)Cc1ccc(CN)cc1)c1ccncc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is TZUZQIJFZGSWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(15-6-8-18-9-7-15)19-16(20)10-13-2-4-14(11-17)5-3-13/h2-9,12H,10-11,17H2,1H3,(H,19,20).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide?
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 63590307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).