5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide

C17H14N4O2 — CID 154741779

IUPAC5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2noc(C3(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C17H14N4O2/c18-14(22)13-7-6-11(10-19-13)15-20-16(23-21-15)17(8-9-17)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,18,22)
InChIKeyCVDJTLLSELACRY-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.31
Rot. Bonds4

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

5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide (PubChem CID 154741779) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
PubChem CID154741779
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2noc(C3(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C17H14N4O2/c18-14(22)13-7-6-11(10-19-13)15-20-16(23-21-15)17(8-9-17)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,18,22)
InChIKeyCVDJTLLSELACRY-UHFFFAOYSA-N
XLogP2.31
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide (CID 154741779) is 5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2noc(C3(c4ccccc4)CC3)n2)cn1.
What is the InChIKey of 5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
The InChIKey is CVDJTLLSELACRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-14(22)13-7-6-11(10-19-13)15-20-16(23-21-15)17(8-9-17)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,18,22).
What are the key properties of 5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154741779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).