5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide

C23H22ClN3O2 — CID 52945882

IUPAC5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H22ClN3O2/c24-21-7-5-17(6-8-21)19-13-20(15-25-14-19)23(28)26-16-18-3-1-2-4-22(18)27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2,(H,26,28)
InChIKeyJJCBTWUQVASSGZ-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.17
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 52945882) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
PubChem CID52945882
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H22ClN3O2/c24-21-7-5-17(6-8-21)19-13-20(15-25-14-19)23(28)26-16-18-3-1-2-4-22(18)27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2,(H,26,28)
InChIKeyJJCBTWUQVASSGZ-UHFFFAOYSA-N
XLogP4.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide (CID 52945882) is 5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JJCBTWUQVASSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-21-7-5-17(6-8-21)19-13-20(15-25-14-19)23(28)26-16-18-3-1-2-4-22(18)27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2,(H,26,28).
What are the key properties of 5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 407.90 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 52945882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).