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

C27H25N3O2 — CID 58188112

IUPAC3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)c3ccccn3)c2)cc1
InChIInChI=1S/C27H25N3O2/c1-18-6-10-21(11-7-18)22-13-23(26(31)25-5-3-4-12-28-25)15-24(14-22)27(32)30-17-20-9-8-19(2)29-16-20/h3-16,26,31H,17H2,1-2H3,(H,30,32)
InChIKeyGYEXBCORUJONNH-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.77
Rot. Bonds6

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

3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 58188112) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID58188112
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)c3ccccn3)c2)cc1
InChIInChI=1S/C27H25N3O2/c1-18-6-10-21(11-7-18)22-13-23(26(31)25-5-3-4-12-28-25)15-24(14-22)27(32)30-17-20-9-8-19(2)29-16-20/h3-16,26,31H,17H2,1-2H3,(H,30,32)
InChIKeyGYEXBCORUJONNH-UHFFFAOYSA-N
XLogP4.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.77
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-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 58188112) is 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(O)c3ccccn3)c2)cc1.
What is the InChIKey of 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is GYEXBCORUJONNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-18-6-10-21(11-7-18)22-13-23(26(31)25-5-3-4-12-28-25)15-24(14-22)27(32)30-17-20-9-8-19(2)29-16-20/h3-16,26,31H,17H2,1-2H3,(H,30,32).
What are the key properties of 3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
3-[hydroxy(pyridin-2-yl)methyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 4.77, 6 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-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 58188112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).