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

C22H16Cl2N4O3 — CID 3242453

IUPACN-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESCC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3cccnc3)cc2)no1
InChIInChI=1S/C22H16Cl2N4O3/c1-13(30-19-9-6-16(23)11-18(19)24)22-27-20(28-31-22)14-4-7-17(8-5-14)26-21(29)15-3-2-10-25-12-15/h2-13H,1H3,(H,26,29)
InChIKeyQLZBHFACODODDB-UHFFFAOYSA-N
MW455.30 g/mol
LogP5.83
Rot. Bonds6

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

N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 3242453) has the molecular formula C22H16Cl2N4O3 and a molecular weight of 455.30 g/mol. Its IUPAC name is N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID3242453
Molecular FormulaC22H16Cl2N4O3
Molecular Weight455.30 g/mol
Exact Mass454.06
IUPAC NameN-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESCC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3cccnc3)cc2)no1
InChIInChI=1S/C22H16Cl2N4O3/c1-13(30-19-9-6-16(23)11-18(19)24)22-27-20(28-31-22)14-4-7-17(8-5-14)26-21(29)15-3-2-10-25-12-15/h2-13H,1H3,(H,26,29)
InChIKeyQLZBHFACODODDB-UHFFFAOYSA-N
XLogP5.83
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.30
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (CID 3242453) is N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3cccnc3)cc2)no1.
What is the InChIKey of N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is QLZBHFACODODDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O3/c1-13(30-19-9-6-16(23)11-18(19)24)22-27-20(28-31-22)14-4-7-17(8-5-14)26-21(29)15-3-2-10-25-12-15/h2-13H,1H3,(H,26,29).
What are the key properties of N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 455.30 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3242453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).