2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide

C15H17N3O2 — CID 63667624

IUPAC2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide
SMILESCc1cnccc1NC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C15H17N3O2/c1-11-9-17-7-6-14(11)18-15(19)10-20-13-4-2-12(8-16)3-5-13/h2-7,9H,8,10,16H2,1H3,(H,17,18,19)
InChIKeyMXVGJDAXFGXQFL-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide

2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide (PubChem CID 63667624) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide
PubChem CID63667624
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide
SMILESCc1cnccc1NC(=O)COc1ccc(CN)cc1
InChIInChI=1S/C15H17N3O2/c1-11-9-17-7-6-14(11)18-15(19)10-20-13-4-2-12(8-16)3-5-13/h2-7,9H,8,10,16H2,1H3,(H,17,18,19)
InChIKeyMXVGJDAXFGXQFL-UHFFFAOYSA-N
XLogP1.87
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide
CID 107594623
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
2-[4-(aminomethyl)phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 43822965
2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 106484956
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide
CID 43539721
2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 46741581
2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107461981
2-[4-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28561557
2-amino-N-[3-[[2-(4-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192498
2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
CID 43543203

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide (CID 63667624) is 2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide is Cc1cnccc1NC(=O)COc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide?
The InChIKey is MXVGJDAXFGXQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-9-17-7-6-14(11)18-15(19)10-20-13-4-2-12(8-16)3-5-13/h2-7,9H,8,10,16H2,1H3,(H,17,18,19).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide is sourced from PubChem (CID 63667624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).