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

C18H18N4O3 — CID 70751959

IUPAC2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H18N4O3/c1-3-24-17-14(10-7-11-19-17)18(23)22(2)12-15-20-16(21-25-15)13-8-5-4-6-9-13/h4-11H,3,12H2,1-2H3
InChIKeyMLGFVRAPLOQIGI-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.80
Rot. Bonds6

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

2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 70751959) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID70751959
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H18N4O3/c1-3-24-17-14(10-7-11-19-17)18(23)22(2)12-15-20-16(21-25-15)13-8-5-4-6-9-13/h4-11H,3,12H2,1-2H3
InChIKeyMLGFVRAPLOQIGI-UHFFFAOYSA-N
XLogP2.80
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide (CID 70751959) is 2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)N(C)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MLGFVRAPLOQIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-3-24-17-14(10-7-11-19-17)18(23)22(2)12-15-20-16(21-25-15)13-8-5-4-6-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 70751959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).