5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide

C21H23N5O3 — CID 71087730

IUPAC5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCc3ccccn3)n2)no1
InChIInChI=1S/C21H23N5O3/c1-13-23-20(26-29-13)21(2,3)25-18(27)17-10-9-16(14-7-8-14)19(24-17)28-12-15-6-4-5-11-22-15/h4-6,9-11,14H,7-8,12H2,1-3H3,(H,25,27)
InChIKeyHECCLCMBSJMOGG-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.29
Rot. Bonds7

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

5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide (PubChem CID 71087730) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide
PubChem CID71087730
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCc3ccccn3)n2)no1
InChIInChI=1S/C21H23N5O3/c1-13-23-20(26-29-13)21(2,3)25-18(27)17-10-9-16(14-7-8-14)19(24-17)28-12-15-6-4-5-11-22-15/h4-6,9-11,14H,7-8,12H2,1-3H3,(H,25,27)
InChIKeyHECCLCMBSJMOGG-UHFFFAOYSA-N
XLogP3.29
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide (CID 71087730) is 5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide is Cc1nc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCc3ccccn3)n2)no1.
What is the InChIKey of 5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is HECCLCMBSJMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-23-20(26-29-13)21(2,3)25-18(27)17-10-9-16(14-7-8-14)19(24-17)28-12-15-6-4-5-11-22-15/h4-6,9-11,14H,7-8,12H2,1-3H3,(H,25,27).
What are the key properties of 5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-6-(pyridin-2-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71087730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).