2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide

C15H17N3O3 — CID 103347536

IUPAC2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide
SMILESCOc1cccc(CNc2ccc(OCC(N)=O)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-20-15-4-2-3-12(18-15)9-17-11-5-7-13(8-6-11)21-10-14(16)19/h2-8,17H,9-10H2,1H3,(H2,16,19)
InChIKeyIRLXWXRAEWOTQU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.57
Rot. Bonds7

About 2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide

2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide (PubChem CID 103347536) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide
PubChem CID103347536
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide
SMILESCOc1cccc(CNc2ccc(OCC(N)=O)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-20-15-4-2-3-12(18-15)9-17-11-5-7-13(8-6-11)21-10-14(16)19/h2-8,17H,9-10H2,1H3,(H2,16,19)
InChIKeyIRLXWXRAEWOTQU-UHFFFAOYSA-N
XLogP1.57
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methoxy-2-pyridinyl)methylamino]oxyacetamide
CID 112673964
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide
CID 103347632
4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65026028
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
6-(2-methoxyethoxy)-N-[(6-methoxy-2-pyridinyl)methyl]pyridin-3-amine
CID 103347504
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103347471
2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 61390811
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
CID 79156737

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide (CID 103347536) is 2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide is COc1cccc(CNc2ccc(OCC(N)=O)cc2)n1.
What is the InChIKey of 2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide?
The InChIKey is IRLXWXRAEWOTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-15-4-2-3-12(18-15)9-17-11-5-7-13(8-6-11)21-10-14(16)19/h2-8,17H,9-10H2,1H3,(H2,16,19).
What are the key properties of 2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide?
2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 103347536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).