N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide

C16H19N3O2 — CID 82343940

IUPACN-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cc(CN)ccn1
InChIInChI=1S/C16H19N3O2/c1-11-4-3-5-12(2)16(11)21-10-15(20)19-14-8-13(9-17)6-7-18-14/h3-8H,9-10,17H2,1-2H3,(H,18,19,20)
InChIKeyHZOJQDOJAGFEKB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.17
Rot. Bonds5

About N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide

N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 82343940) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide
PubChem CID82343940
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cc(CN)ccn1
InChIInChI=1S/C16H19N3O2/c1-11-4-3-5-12(2)16(11)21-10-15(20)19-14-8-13(9-17)6-7-18-14/h3-8H,9-10,17H2,1-2H3,(H,18,19,20)
InChIKeyHZOJQDOJAGFEKB-UHFFFAOYSA-N
XLogP2.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 120605363
2-(2,6-dimethylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859856
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393587
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114282
2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 46741581
N-[4-(hydroxymethyl)-2-pyridinyl]-2-methoxyacetamide
CID 82343554
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 28867327
2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106485131

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide (CID 82343940) is N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)Nc1cc(CN)ccn1.
What is the InChIKey of N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is HZOJQDOJAGFEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-3-5-12(2)16(11)21-10-15(20)19-14-8-13(9-17)6-7-18-14/h3-8H,9-10,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide?
N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 82343940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).