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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Related Compounds

2-({2-[(4-Carbamoylphenyl)amino]pyrimidin-4-Yl}amino)benzamide
CID 60138156
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CID 71741428
5-[2-(1-Phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56949269
5-(3-Phenylpropyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 705895
5-(4-Nitrophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 867087
3-(5-Pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 647656
N-{4-[5-(4-methoxybenzyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3242078
N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3244925
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10109052
2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)isonicotinamide
CID 10111662
2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)-N,N-dimethylisonicotinamide
CID 10159719
2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)-N-methylisonicotinamide
CID 10180091

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).