6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide

C21H15ClN4O2 — CID 73050826

IUPAC6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1nc(-c2ccccc2)no1)c1cccc(Cl)n1
InChIInChI=1S/C21H15ClN4O2/c22-17-13-7-12-16(23-17)20(27)24-18(14-8-3-1-4-9-14)21-25-19(26-28-21)15-10-5-2-6-11-15/h1-13,18H,(H,24,27)
InChIKeyFLVIJFCWWPGMLM-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.30
Rot. Bonds5

About 6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide

6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide (PubChem CID 73050826) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
PubChem CID73050826
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1nc(-c2ccccc2)no1)c1cccc(Cl)n1
InChIInChI=1S/C21H15ClN4O2/c22-17-13-7-12-16(23-17)20(27)24-18(14-8-3-1-4-9-14)21-25-19(26-28-21)15-10-5-2-6-11-15/h1-13,18H,(H,24,27)
InChIKeyFLVIJFCWWPGMLM-UHFFFAOYSA-N
XLogP4.30
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide (CID 73050826) is 6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide is O=C(NC(c1ccccc1)c1nc(-c2ccccc2)no1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
The InChIKey is FLVIJFCWWPGMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c22-17-13-7-12-16(23-17)20(27)24-18(14-8-3-1-4-9-14)21-25-19(26-28-21)15-10-5-2-6-11-15/h1-13,18H,(H,24,27).
What are the key properties of 6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide has a molecular weight of 390.83 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 73050826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).