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

C21H15ClN4O3 — CID 1291756

IUPACN-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3ccncc3)cc2)no1
InChIInChI=1S/C21H15ClN4O3/c1-28-18-7-4-15(22)12-17(18)21-25-19(26-29-21)13-2-5-16(6-3-13)24-20(27)14-8-10-23-11-9-14/h2-12H,1H3,(H,24,27)
InChIKeyRZLIEQIFJGXIGI-UHFFFAOYSA-N
MW406.83 g/mol
LogP4.71
Rot. Bonds5

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

N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide (PubChem CID 1291756) has the molecular formula C21H15ClN4O3 and a molecular weight of 406.83 g/mol. Its IUPAC name is N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide
PubChem CID1291756
Molecular FormulaC21H15ClN4O3
Molecular Weight406.83 g/mol
Exact Mass406.08
IUPAC NameN-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3ccncc3)cc2)no1
InChIInChI=1S/C21H15ClN4O3/c1-28-18-7-4-15(22)12-17(18)21-25-19(26-29-21)13-2-5-16(6-3-13)24-20(27)14-8-10-23-11-9-14/h2-12H,1H3,(H,24,27)
InChIKeyRZLIEQIFJGXIGI-UHFFFAOYSA-N
XLogP4.71
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide (CID 1291756) is N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide is COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3ccncc3)cc2)no1.
What is the InChIKey of N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is RZLIEQIFJGXIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3/c1-28-18-7-4-15(22)12-17(18)21-25-19(26-29-21)13-2-5-16(6-3-13)24-20(27)14-8-10-23-11-9-14/h2-12H,1H3,(H,24,27).
What are the key properties of N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide?
N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 406.83 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 1291756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).