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

C21H16N4O3 — CID 3244925

IUPACN-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)c1
InChIInChI=1S/C21H16N4O3/c1-27-18-6-2-4-15(12-18)21-24-19(25-28-21)14-7-9-17(10-8-14)23-20(26)16-5-3-11-22-13-16/h2-13H,1H3,(H,23,26)
InChIKeyBDEYVAJPDUBWBW-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.06
Rot. Bonds5

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

N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 3244925) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID3244925
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC NameN-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)c1
InChIInChI=1S/C21H16N4O3/c1-27-18-6-2-4-15(12-18)21-24-19(25-28-21)14-7-9-17(10-8-14)23-20(26)16-5-3-11-22-13-16/h2-13H,1H3,(H,23,26)
InChIKeyBDEYVAJPDUBWBW-UHFFFAOYSA-N
XLogP4.06
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
3-(Pyridin-2-yl)-5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 9948499
5-(3-Methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-1,2-dihydro-1,6-naphthyridine
CID 135418404
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789859
4-[5-(2-Methoxybenzyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 848354
3-[3-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 2033237
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
N-{4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}isonicotinamide
CID 1291756
N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}isonicotinamide
CID 1292479
N-{4-[5-(4-methoxybenzyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3242078
N-{4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3243836

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (CID 3244925) is N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is COc1cccc(-c2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)c1.
What is the InChIKey of N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is BDEYVAJPDUBWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-27-18-6-2-4-15(12-18)21-24-19(25-28-21)14-7-9-17(10-8-14)23-20(26)16-5-3-11-22-13-16/h2-13H,1H3,(H,23,26).
What are the key properties of N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3244925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).