N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide

C15H12N4O2 — CID 110643697

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
SMILESCc1noc(-c2cccc(NC(=O)c3ccncc3)c2)n1
InChIInChI=1S/C15H12N4O2/c1-10-17-15(21-19-10)12-3-2-4-13(9-12)18-14(20)11-5-7-16-8-6-11/h2-9H,1H3,(H,18,20)
InChIKeyBJHKQBTVGDFTBG-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.69
Rot. Bonds3

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

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide (PubChem CID 110643697) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
PubChem CID110643697
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
SMILESCc1noc(-c2cccc(NC(=O)c3ccncc3)c2)n1
InChIInChI=1S/C15H12N4O2/c1-10-17-15(21-19-10)12-3-2-4-13(9-12)18-14(20)11-5-7-16-8-6-11/h2-9H,1H3,(H,18,20)
InChIKeyBJHKQBTVGDFTBG-UHFFFAOYSA-N
XLogP2.69
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698
N-[3-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 33439699
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110418385
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110418387
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 4972613
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39697430
2-(4-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 46266992
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608062

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide (CID 110643697) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide is Cc1noc(-c2cccc(NC(=O)c3ccncc3)c2)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is BJHKQBTVGDFTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-17-15(21-19-10)12-3-2-4-13(9-12)18-14(20)11-5-7-16-8-6-11/h2-9H,1H3,(H,18,20).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 110643697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).