6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide

C10H9ClN4O2 — CID 103744003

IUPAC6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ncno1)c1ccc(Cl)nc1
InChIInChI=1S/C10H9ClN4O2/c11-8-2-1-7(5-13-8)10(16)12-4-3-9-14-6-15-17-9/h1-2,5-6H,3-4H2,(H,12,16)
InChIKeyXFEHABYZHUQFHF-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.09
Rot. Bonds4

About 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide

6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 103744003) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID103744003
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ncno1)c1ccc(Cl)nc1
InChIInChI=1S/C10H9ClN4O2/c11-8-2-1-7(5-13-8)10(16)12-4-3-9-14-6-15-17-9/h1-2,5-6H,3-4H2,(H,12,16)
InChIKeyXFEHABYZHUQFHF-UHFFFAOYSA-N
XLogP1.09
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
CID 106408591
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103744039
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106409338
4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103743986
4-(3-aminoprop-1-ynyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106406896
2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103890610
4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103799885
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842424
6-chloro-N-[2-(3,4-dihydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 78800618
4-chloro-6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103894105

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide (CID 103744003) is 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ncno1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is XFEHABYZHUQFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-8-2-1-7(5-13-8)10(16)12-4-3-9-14-6-15-17-9/h1-2,5-6H,3-4H2,(H,12,16).
What are the key properties of 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 103744003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).