2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide

C26H23N3O2 — CID 69496794

IUPAC2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide
SMILESCc1cc(Oc2cccc(-c3ccccc3C(N)=O)n2)cc(-c2cccc(CN)c2)c1
InChIInChI=1S/C26H23N3O2/c1-17-12-20(19-7-4-6-18(14-19)16-27)15-21(13-17)31-25-11-5-10-24(29-25)22-8-2-3-9-23(22)26(28)30/h2-15H,16,27H2,1H3,(H2,28,30)
InChIKeyUNVCBYVCAAAKII-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.07
Rot. Bonds6

About 2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide

2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide (PubChem CID 69496794) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide
PubChem CID69496794
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide
SMILESCc1cc(Oc2cccc(-c3ccccc3C(N)=O)n2)cc(-c2cccc(CN)c2)c1
InChIInChI=1S/C26H23N3O2/c1-17-12-20(19-7-4-6-18(14-19)16-27)15-21(13-17)31-25-11-5-10-24(29-25)22-8-2-3-9-23(22)26(28)30/h2-15H,16,27H2,1H3,(H2,28,30)
InChIKeyUNVCBYVCAAAKII-UHFFFAOYSA-N
XLogP5.07
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]-5-propylbenzoic acid;dihydrochloride
CID 69496405
2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]-5-(1-hydroxyethyl)benzoic acid
CID 69496372
2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]-4-ethylbenzoic acid
CID 69496588
2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]-4-fluorobenzoic acid;dihydrochloride
CID 69496892
2-[3-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-5-methylphenyl]benzoic acid
CID 69497026
methyl 2-[6-[3-[3-(aminomethyl)phenyl]-5-(methanesulfonamido)phenoxy]-2-pyridinyl]benzoate
CID 69497132
1-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]piperidine-2-carboxylic acid;dihydrochloride
CID 69496075
(2R)-2-[[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-3,5-difluoro-2-pyridinyl]oxy]-3,3-dimethylbutanoic acid
CID 69496717
3-[[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-3,5-difluoro-2-pyridinyl]oxy]-5-methylthiophene-2-carboxylic acid
CID 69496734
2-[3-[[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]benzamide
CID 142799700
2-[[6-[3-[3-(aminomethyl)phenyl]-5-methoxyphenoxy]-3,5-difluoro-2-pyridinyl]oxy]-4-methylbenzoic acid
CID 69496301
4-acetyl-1-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-3,5-difluoro-2-pyridinyl]piperazine-2-carboxylic acid
CID 69496632

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide?
The IUPAC name of 2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide (CID 69496794) is 2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide?
The canonical SMILES for 2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide is Cc1cc(Oc2cccc(-c3ccccc3C(N)=O)n2)cc(-c2cccc(CN)c2)c1.
What is the InChIKey of 2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide?
The InChIKey is UNVCBYVCAAAKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-17-12-20(19-7-4-6-18(14-19)16-27)15-21(13-17)31-25-11-5-10-24(29-25)22-8-2-3-9-23(22)26(28)30/h2-15H,16,27H2,1H3,(H2,28,30).
What are the key properties of 2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide?
2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 69496794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).