3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide

C28H27N3O2 — CID 67523280

IUPAC3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3ccc(C)nc3)cc(C(O)c3ccccn3)c2)cc1
InChIInChI=1S/C28H27N3O2/c1-19-6-10-22(11-7-19)23-15-24(27(32)26-5-3-4-13-29-26)17-25(16-23)28(33)30-14-12-21-9-8-20(2)31-18-21/h3-11,13,15-18,27,32H,12,14H2,1-2H3,(H,30,33)
InChIKeyMCOBMSZNVWJUQY-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.81
Rot. Bonds7

About 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide

3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide (PubChem CID 67523280) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide
PubChem CID67523280
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3ccc(C)nc3)cc(C(O)c3ccccn3)c2)cc1
InChIInChI=1S/C28H27N3O2/c1-19-6-10-22(11-7-19)23-15-24(27(32)26-5-3-4-13-29-26)17-25(16-23)28(33)30-14-12-21-9-8-20(2)31-18-21/h3-11,13,15-18,27,32H,12,14H2,1-2H3,(H,30,33)
InChIKeyMCOBMSZNVWJUQY-UHFFFAOYSA-N
XLogP4.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide?
The IUPAC name of 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide (CID 67523280) is 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide?
The canonical SMILES for 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide is Cc1ccc(-c2cc(C(=O)NCCc3ccc(C)nc3)cc(C(O)c3ccccn3)c2)cc1.
What is the InChIKey of 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide?
The InChIKey is MCOBMSZNVWJUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-19-6-10-22(11-7-19)23-15-24(27(32)26-5-3-4-13-29-26)17-25(16-23)28(33)30-14-12-21-9-8-20(2)31-18-21/h3-11,13,15-18,27,32H,12,14H2,1-2H3,(H,30,33).
What are the key properties of 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide?
3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 67523280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).