3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide

C28H27N3O2 — CID 67523209

IUPAC3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3ccc(C)nc3)cc(C(O)c3ccccc3)c2)nc1
InChIInChI=1S/C28H27N3O2/c1-19-8-11-26(31-17-19)23-14-24(27(32)22-6-4-3-5-7-22)16-25(15-23)28(33)29-13-12-21-10-9-20(2)30-18-21/h3-11,14-18,27,32H,12-13H2,1-2H3,(H,29,33)
InChIKeyZZEBDTMRMHVWPF-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.81
Rot. Bonds7

About 3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide

3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide (PubChem CID 67523209) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide
PubChem CID67523209
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3ccc(C)nc3)cc(C(O)c3ccccc3)c2)nc1
InChIInChI=1S/C28H27N3O2/c1-19-8-11-26(31-17-19)23-14-24(27(32)22-6-4-3-5-7-22)16-25(15-23)28(33)29-13-12-21-10-9-20(2)30-18-21/h3-11,14-18,27,32H,12-13H2,1-2H3,(H,29,33)
InChIKeyZZEBDTMRMHVWPF-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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Related Compounds

3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 67523353
3-(2-hydroxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959971
3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
CID 45136907
3-(2-cyanophenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 45136905
3-(5-methyl-2-pyridinyl)-5-(2,2,2-trifluoro-1-hydroxyethyl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide
CID 59539601
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 111455444
3-(1-hydroxy-2-pyrrolidin-1-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 58188361
3-bromo-N-[(6-methyl-3-pyridinyl)methyl]-5-methylsulfonylbenzamide;3-bromo-5-methylsulfonylbenzoic acid;methyl 3-bromo-5-methylsulfonylbenzoate;3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-methylsulfonylbenzamide
CID 157256433
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(2-phenylethyl)guanidine
CID 111834921
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 96516387
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide?
The IUPAC name of 3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide (CID 67523209) is 3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide is Cc1ccc(-c2cc(C(=O)NCCc3ccc(C)nc3)cc(C(O)c3ccccc3)c2)nc1.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide?
The InChIKey is ZZEBDTMRMHVWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-19-8-11-26(31-17-19)23-14-24(27(32)22-6-4-3-5-7-22)16-25(15-23)28(33)29-13-12-21-10-9-20(2)30-18-21/h3-11,14-18,27,32H,12-13H2,1-2H3,(H,29,33).
What are the key properties of 3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide?
3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-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(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 67523209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).