5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide

C18H22N4O3 — CID 78010149

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCc1nc(C(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)no1
InChIInChI=1S/C18H22N4O3/c1-10(16-20-11(2)25-22-16)19-17(23)15-8-7-14(13-5-6-13)18(21-15)24-9-12-3-4-12/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,19,23)
InChIKeyWGYBJEUKOIFMQA-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.93
Rot. Bonds7

About 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide

5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 78010149) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID78010149
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCc1nc(C(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)no1
InChIInChI=1S/C18H22N4O3/c1-10(16-20-11(2)25-22-16)19-17(23)15-8-7-14(13-5-6-13)18(21-15)24-9-12-3-4-12/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,19,23)
InChIKeyWGYBJEUKOIFMQA-UHFFFAOYSA-N
XLogP2.93
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide (CID 78010149) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide is Cc1nc(C(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)no1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is WGYBJEUKOIFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-10(16-20-11(2)25-22-16)19-17(23)15-8-7-14(13-5-6-13)18(21-15)24-9-12-3-4-12/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,19,23).
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 78010149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).