N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide

C24H20N4O2 — CID 58396876

IUPACN-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(O)cc2)cc1Cc1ncccc1-c1ccncn1
InChIInChI=1S/C24H20N4O2/c1-16-4-5-17(24(30)28-19-6-8-20(29)9-7-19)13-18(16)14-23-21(3-2-11-26-23)22-10-12-25-15-27-22/h2-13,15,29H,14H2,1H3,(H,28,30)
InChIKeyWVZHTTGAQCAHEP-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.40
Rot. Bonds5

About N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide

N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide (PubChem CID 58396876) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
PubChem CID58396876
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(O)cc2)cc1Cc1ncccc1-c1ccncn1
InChIInChI=1S/C24H20N4O2/c1-16-4-5-17(24(30)28-19-6-8-20(29)9-7-19)13-18(16)14-23-21(3-2-11-26-23)22-10-12-25-15-27-22/h2-13,15,29H,14H2,1H3,(H,28,30)
InChIKeyWVZHTTGAQCAHEP-UHFFFAOYSA-N
XLogP4.40
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide (CID 58396876) is N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide is Cc1ccc(C(=O)Nc2ccc(O)cc2)cc1Cc1ncccc1-c1ccncn1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide?
The InChIKey is WVZHTTGAQCAHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-16-4-5-17(24(30)28-19-6-8-20(29)9-7-19)13-18(16)14-23-21(3-2-11-26-23)22-10-12-25-15-27-22/h2-13,15,29H,14H2,1H3,(H,28,30).
What are the key properties of N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide?
N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide has a molecular weight of 396.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 58396876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).