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

C22H18N4O3 — CID 3242078

IUPACN-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(Cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)cc1
InChIInChI=1S/C22H18N4O3/c1-28-19-10-4-15(5-11-19)13-20-25-21(26-29-20)16-6-8-18(9-7-16)24-22(27)17-3-2-12-23-14-17/h2-12,14H,13H2,1H3,(H,24,27)
InChIKeyHZTKKSKITSGIRI-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.98
Rot. Bonds6

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

N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 3242078) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID3242078
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(Cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)cc1
InChIInChI=1S/C22H18N4O3/c1-28-19-10-4-15(5-11-19)13-20-25-21(26-29-20)16-6-8-18(9-7-16)24-22(27)17-3-2-12-23-14-17/h2-12,14H,13H2,1H3,(H,24,27)
InChIKeyHZTKKSKITSGIRI-UHFFFAOYSA-N
XLogP3.98
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (CID 3242078) is N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is COc1ccc(Cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)cc1.
What is the InChIKey of N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is HZTKKSKITSGIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-28-19-10-4-15(5-11-19)13-20-25-21(26-29-20)16-6-8-18(9-7-16)24-22(27)17-3-2-12-23-14-17/h2-12,14H,13H2,1H3,(H,24,27).
What are the key properties of N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3242078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).