N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide

C25H23N3O3 — CID 89034457

IUPACN-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
SMILESO=C(NO)c1ccnc(-c2ccc(C#Cc3cccc(CN4CCOCC4)c3)cc2)c1
InChIInChI=1S/C25H23N3O3/c29-25(27-30)23-10-11-26-24(17-23)22-8-6-19(7-9-22)4-5-20-2-1-3-21(16-20)18-28-12-14-31-15-13-28/h1-3,6-11,16-17,30H,12-15,18H2,(H,27,29)
InChIKeyYVMISMISJUJHDW-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.10
Rot. Bonds4

About N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide

N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide (PubChem CID 89034457) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
PubChem CID89034457
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
SMILESO=C(NO)c1ccnc(-c2ccc(C#Cc3cccc(CN4CCOCC4)c3)cc2)c1
InChIInChI=1S/C25H23N3O3/c29-25(27-30)23-10-11-26-24(17-23)22-8-6-19(7-9-22)4-5-20-2-1-3-21(16-20)18-28-12-14-31-15-13-28/h1-3,6-11,16-17,30H,12-15,18H2,(H,27,29)
InChIKeyYVMISMISJUJHDW-UHFFFAOYSA-N
XLogP3.10
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide (CID 89034457) is N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide is O=C(NO)c1ccnc(-c2ccc(C#Cc3cccc(CN4CCOCC4)c3)cc2)c1.
What is the InChIKey of N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
The InChIKey is YVMISMISJUJHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-25(27-30)23-10-11-26-24(17-23)22-8-6-19(7-9-22)4-5-20-2-1-3-21(16-20)18-28-12-14-31-15-13-28/h1-3,6-11,16-17,30H,12-15,18H2,(H,27,29).
What are the key properties of N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide?
N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 89034457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).