3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide

C26H19N3O2 — CID 159760922

IUPAC3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide
SMILESCc1ccc(-c2ccc(C#Cc3cccnc3)cc2)nc1NC(=O)c1cccc(O)c1
InChIInChI=1S/C26H19N3O2/c1-18-7-14-24(28-25(18)29-26(31)22-5-2-6-23(30)16-22)21-12-10-19(11-13-21)8-9-20-4-3-15-27-17-20/h2-7,10-17,30H,1H3,(H,28,29,31)
InChIKeyNEWDTOKKTKQBCS-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.81
Rot. Bonds3

About 3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide

3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide (PubChem CID 159760922) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide
PubChem CID159760922
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Name3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide
SMILESCc1ccc(-c2ccc(C#Cc3cccnc3)cc2)nc1NC(=O)c1cccc(O)c1
InChIInChI=1S/C26H19N3O2/c1-18-7-14-24(28-25(18)29-26(31)22-5-2-6-23(30)16-22)21-12-10-19(11-13-21)8-9-20-4-3-15-27-17-20/h2-7,10-17,30H,1H3,(H,28,29,31)
InChIKeyNEWDTOKKTKQBCS-UHFFFAOYSA-N
XLogP4.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(4-hydroxybenzoyl)amino]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxylate
CID 68755887
2-acetamido-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
CID 91090222
N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-2-carboxamide
CID 87563576
N-hydroxy-2-(2-methylpropanoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
CID 91500550
2-(2,2-dimethylpropanoylamino)-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
CID 91284491
N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide
CID 91212656
N-hydroxy-2-(methylamino)-5-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-3-carboxamide
CID 87563795
4-methyl-3-(2-pyridin-3-ylethynyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)benzamide
CID 155436066
3-[2-(4-methylphenyl)ethynyl]pyridine
CID 11252533
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 71527861
1-[4-(2-pyridin-3-ylethynyl)phenyl]ethanone
CID 86068222
methyl 4-(2-pyridin-3-ylethynyl)benzoate
CID 15898469

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide?
The IUPAC name of 3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide (CID 159760922) is 3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide is Cc1ccc(-c2ccc(C#Cc3cccnc3)cc2)nc1NC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide?
The InChIKey is NEWDTOKKTKQBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c1-18-7-14-24(28-25(18)29-26(31)22-5-2-6-23(30)16-22)21-12-10-19(11-13-21)8-9-20-4-3-15-27-17-20/h2-7,10-17,30H,1H3,(H,28,29,31).
What are the key properties of 3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide?
3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide has a molecular weight of 405.46 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-methyl-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 159760922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).