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

C21H18N4O3S — CID 71800648

IUPAC2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C21H18N4O3S/c1-2-27-21-15(8-5-11-22-21)20(26)23-16-9-4-3-7-14(16)13-18-24-19(25-28-18)17-10-6-12-29-17/h3-12H,2,13H2,1H3,(H,23,26)
InChIKeyUQPJLCYAPFIXTP-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.43
Rot. Bonds7

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

2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 71800648) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID71800648
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C21H18N4O3S/c1-2-27-21-15(8-5-11-22-21)20(26)23-16-9-4-3-7-14(16)13-18-24-19(25-28-18)17-10-6-12-29-17/h3-12H,2,13H2,1H3,(H,23,26)
InChIKeyUQPJLCYAPFIXTP-UHFFFAOYSA-N
XLogP4.43
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide (CID 71800648) is 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is UQPJLCYAPFIXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-2-27-21-15(8-5-11-22-21)20(26)23-16-9-4-3-7-14(16)13-18-24-19(25-28-18)17-10-6-12-29-17/h3-12H,2,13H2,1H3,(H,23,26).
What are the key properties of 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71800648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).