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

C14H11N5O2 — CID 42537666

IUPAC3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H11N5O2/c20-13(17-9-10-4-7-15-8-5-10)14-18-12(19-21-14)11-3-1-2-6-16-11/h1-8H,9H2,(H,17,20)
InChIKeyQYFPQVGSDYNFCC-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.46
Rot. Bonds4

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

3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42537666) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42537666
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H11N5O2/c20-13(17-9-10-4-7-15-8-5-10)14-18-12(19-21-14)11-3-1-2-6-16-11/h1-8H,9H2,(H,17,20)
InChIKeyQYFPQVGSDYNFCC-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
2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid
CID 66703190
3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 22521001
N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569058
N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 45369782
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569131
N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581632
N-[2-(1H-indol-3-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581080
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 98192387
3-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299617
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 75370633

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 42537666) is 3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccncc1)c1nc(-c2ccccn2)no1.
What is the InChIKey of 3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is QYFPQVGSDYNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-13(17-9-10-4-7-15-8-5-10)14-18-12(19-21-14)11-3-1-2-6-16-11/h1-8H,9H2,(H,17,20).
What are the key properties of 3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-pyridin-2-yl-N-(pyridin-4-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-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42537666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).