N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide

C14H15N3O2 — CID 16789726

IUPACN-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(CN)cn1
InChIInChI=1S/C14H15N3O2/c1-10(18)17-12-4-2-3-5-13(12)19-14-7-6-11(8-15)9-16-14/h2-7,9H,8,15H2,1H3,(H,17,18)
InChIKeyLPPZRWHAXKYKOC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.29
Rot. Bonds4

About N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide

N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide (PubChem CID 16789726) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide
PubChem CID16789726
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(CN)cn1
InChIInChI=1S/C14H15N3O2/c1-10(18)17-12-4-2-3-5-13(12)19-14-7-6-11(8-15)9-16-14/h2-7,9H,8,15H2,1H3,(H,17,18)
InChIKeyLPPZRWHAXKYKOC-UHFFFAOYSA-N
XLogP2.29
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The IUPAC name of N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide (CID 16789726) is N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The canonical SMILES for N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide is CC(=O)Nc1ccccc1Oc1ccc(CN)cn1.
What is the InChIKey of N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The InChIKey is LPPZRWHAXKYKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(18)17-12-4-2-3-5-13(12)19-14-7-6-11(8-15)9-16-14/h2-7,9H,8,15H2,1H3,(H,17,18).
What are the key properties of N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide?
N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide has a molecular weight of 257.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide is sourced from PubChem (CID 16789726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).