3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide

C23H23ClN2O2 — CID 56676136

IUPAC3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C23H23ClN2O2/c1-16(2)14-26-22(27)17-5-3-6-19(13-17)23(28,20-7-4-12-25-15-20)18-8-10-21(24)11-9-18/h3-13,15-16,28H,14H2,1-2H3,(H,26,27)
InChIKeyOTOLLQGSEVOVMI-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.41
Rot. Bonds6

About 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide

3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide (PubChem CID 56676136) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide
PubChem CID56676136
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C23H23ClN2O2/c1-16(2)14-26-22(27)17-5-3-6-19(13-17)23(28,20-7-4-12-25-15-20)18-8-10-21(24)11-9-18/h3-13,15-16,28H,14H2,1-2H3,(H,26,27)
InChIKeyOTOLLQGSEVOVMI-UHFFFAOYSA-N
XLogP4.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide (CID 56676136) is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide?
The InChIKey is OTOLLQGSEVOVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-16(2)14-26-22(27)17-5-3-6-19(13-17)23(28,20-7-4-12-25-15-20)18-8-10-21(24)11-9-18/h3-13,15-16,28H,14H2,1-2H3,(H,26,27).
What are the key properties of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide?
3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 394.90 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 56676136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).