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

C21H15ClN4O2 — CID 122176663

IUPACN-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1)c1ccccn1
InChIInChI=1S/C21H15ClN4O2/c22-16-8-4-14(5-9-16)13-19-25-20(26-28-19)15-6-10-17(11-7-15)24-21(27)18-3-1-2-12-23-18/h1-12H,13H2,(H,24,27)
InChIKeyFVTZOJGRGSWMMM-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.63
Rot. Bonds5

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

N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 122176663) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
PubChem CID122176663
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC NameN-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1)c1ccccn1
InChIInChI=1S/C21H15ClN4O2/c22-16-8-4-14(5-9-16)13-19-25-20(26-28-19)15-6-10-17(11-7-15)24-21(27)18-3-1-2-12-23-18/h1-12H,13H2,(H,24,27)
InChIKeyFVTZOJGRGSWMMM-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide
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N-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
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3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
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N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
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[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-acetamidophenyl)acetate
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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide (CID 122176663) is N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1)c1ccccn1.
What is the InChIKey of N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is FVTZOJGRGSWMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c22-16-8-4-14(5-9-16)13-19-25-20(26-28-19)15-6-10-17(11-7-15)24-21(27)18-3-1-2-12-23-18/h1-12H,13H2,(H,24,27).
What are the key properties of N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide?
N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 390.83 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 122176663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).