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

C21H16N4O3 — CID 163378766

IUPAC2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)ccn1
InChIInChI=1S/C21H16N4O3/c1-27-18-13-16(11-12-22-18)19(26)23-17-9-7-15(8-10-17)21-25-24-20(28-21)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,26)
InChIKeyAAHYYWUYTNVESS-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.06
Rot. Bonds5

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

2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide (PubChem CID 163378766) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide
PubChem CID163378766
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)ccn1
InChIInChI=1S/C21H16N4O3/c1-27-18-13-16(11-12-22-18)19(26)23-17-9-7-15(8-10-17)21-25-24-20(28-21)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,26)
InChIKeyAAHYYWUYTNVESS-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide (CID 163378766) is 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide is COc1cc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)ccn1.
What is the InChIKey of 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is AAHYYWUYTNVESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-27-18-13-16(11-12-22-18)19(26)23-17-9-7-15(8-10-17)21-25-24-20(28-21)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,26).
What are the key properties of 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide?
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-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 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 163378766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).