3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C14H11N5O2 — CID 22521001

IUPAC3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H11N5O2/c20-13(17-9-11-3-1-2-6-16-11)14-18-12(19-21-14)10-4-7-15-8-5-10/h1-8H,9H2,(H,17,20)
InChIKeyNULGLYUYMHDTNB-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.46
Rot. Bonds4

About 3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 22521001) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID22521001
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H11N5O2/c20-13(17-9-11-3-1-2-6-16-11)14-18-12(19-21-14)10-4-7-15-8-5-10/h1-8H,9H2,(H,17,20)
InChIKeyNULGLYUYMHDTNB-UHFFFAOYSA-N
XLogP1.46
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42537666
N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569243
3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16764583
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid
CID 66703190
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 50776252
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521078
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 22521001) is 3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccccn1)c1nc(-c2ccncc2)no1.
What is the InChIKey of 3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NULGLYUYMHDTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-13(17-9-11-3-1-2-6-16-11)14-18-12(19-21-14)10-4-7-15-8-5-10/h1-8H,9H2,(H,17,20).
What are the key properties of 3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 22521001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).