N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide

C26H21ClN2O2 — CID 56679076

IUPACN-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C26H21ClN2O2/c27-24-13-11-21(12-14-24)26(31,23-10-5-15-28-18-23)22-9-4-8-20(16-22)25(30)29-17-19-6-2-1-3-7-19/h1-16,18,31H,17H2,(H,29,30)
InChIKeySLKLBTNSQAAKHF-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.95
Rot. Bonds6

About N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide

N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide (PubChem CID 56679076) has the molecular formula C26H21ClN2O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
PubChem CID56679076
Molecular FormulaC26H21ClN2O2
Molecular Weight428.92 g/mol
Exact Mass428.13
IUPAC NameN-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C26H21ClN2O2/c27-24-13-11-21(12-14-24)26(31,23-10-5-15-28-18-23)22-9-4-8-20(16-22)25(30)29-17-19-6-2-1-3-7-19/h1-16,18,31H,17H2,(H,29,30)
InChIKeySLKLBTNSQAAKHF-UHFFFAOYSA-N
XLogP4.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
The IUPAC name of N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide (CID 56679076) is N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide.
What is the SMILES notation for N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
The canonical SMILES for N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide is O=C(NCc1ccccc1)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1.
What is the InChIKey of N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
The InChIKey is SLKLBTNSQAAKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O2/c27-24-13-11-21(12-14-24)26(31,23-10-5-15-28-18-23)22-9-4-8-20(16-22)25(30)29-17-19-6-2-1-3-7-19/h1-16,18,31H,17H2,(H,29,30).
What are the key properties of N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide?
N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide has a molecular weight of 428.92 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide is sourced from PubChem (CID 56679076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).