N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide

C16H19N3O2 — CID 82330971

IUPACN-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2ccc(N)c(C)n2)c1
InChIInChI=1S/C16H19N3O2/c1-3-12-5-4-6-13(9-12)21-10-16(20)19-15-8-7-14(17)11(2)18-15/h4-9H,3,10,17H2,1-2H3,(H,18,19,20)
InChIKeyMHZBIPSXIXZTHN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.55
Rot. Bonds5

About N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide

N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide (PubChem CID 82330971) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide
PubChem CID82330971
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2ccc(N)c(C)n2)c1
InChIInChI=1S/C16H19N3O2/c1-3-12-5-4-6-13(9-12)21-10-16(20)19-15-8-7-14(17)11(2)18-15/h4-9H,3,10,17H2,1-2H3,(H,18,19,20)
InChIKeyMHZBIPSXIXZTHN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide?
The IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide (CID 82330971) is N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide.
What is the SMILES notation for N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide?
The canonical SMILES for N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide is CCc1cccc(OCC(=O)Nc2ccc(N)c(C)n2)c1.
What is the InChIKey of N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide?
The InChIKey is MHZBIPSXIXZTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-12-5-4-6-13(9-12)21-10-16(20)19-15-8-7-14(17)11(2)18-15/h4-9H,3,10,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide?
N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide is sourced from PubChem (CID 82330971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).