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

C25H26ClN3O3 — CID 56682653

IUPAC3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C25H26ClN3O3/c26-23-8-6-20(7-9-23)25(31,22-5-2-10-27-18-22)21-4-1-3-19(17-21)24(30)28-11-12-29-13-15-32-16-14-29/h1-10,17-18,31H,11-16H2,(H,28,30)
InChIKeyUJUWJBDKQLYUHA-UHFFFAOYSA-N
MW451.95 g/mol
LogP3.08
Rot. Bonds7

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

3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 56682653) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID56682653
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C25H26ClN3O3/c26-23-8-6-20(7-9-23)25(31,22-5-2-10-27-18-22)21-4-1-3-19(17-21)24(30)28-11-12-29-13-15-32-16-14-29/h1-10,17-18,31H,11-16H2,(H,28,30)
InChIKeyUJUWJBDKQLYUHA-UHFFFAOYSA-N
XLogP3.08
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 56682653) is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is UJUWJBDKQLYUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c26-23-8-6-20(7-9-23)25(31,22-5-2-10-27-18-22)21-4-1-3-19(17-21)24(30)28-11-12-29-13-15-32-16-14-29/h1-10,17-18,31H,11-16H2,(H,28,30).
What are the key properties of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 451.95 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 56682653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).