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

C22H18N4O2 — CID 3243836

IUPACN-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1cccnc1
InChIInChI=1S/C22H18N4O2/c27-22(18-7-4-14-23-15-18)24-19-11-9-17(10-12-19)21-25-20(28-26-21)13-8-16-5-2-1-3-6-16/h1-7,9-12,14-15H,8,13H2,(H,24,27)
InChIKeyAGHWKNNZUZXNMW-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.17
Rot. Bonds6

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

N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 3243836) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID3243836
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1cccnc1
InChIInChI=1S/C22H18N4O2/c27-22(18-7-4-14-23-15-18)24-19-11-9-17(10-12-19)21-25-20(28-26-21)13-8-16-5-2-1-3-6-16/h1-7,9-12,14-15H,8,13H2,(H,24,27)
InChIKeyAGHWKNNZUZXNMW-UHFFFAOYSA-N
XLogP4.17
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (CID 3243836) is N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is AGHWKNNZUZXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-22(18-7-4-14-23-15-18)24-19-11-9-17(10-12-19)21-25-20(28-26-21)13-8-16-5-2-1-3-6-16/h1-7,9-12,14-15H,8,13H2,(H,24,27).
What are the key properties of N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3243836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).