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

C10H9ClN4O2 — CID 103743995

IUPAC2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ncno1)c1ccnc(Cl)c1
InChIInChI=1S/C10H9ClN4O2/c11-8-5-7(1-3-12-8)10(16)13-4-2-9-14-6-15-17-9/h1,3,5-6H,2,4H2,(H,13,16)
InChIKeyNEVALKSOSFVSNH-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.09
Rot. Bonds4

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

2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 103743995) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID103743995
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ncno1)c1ccnc(Cl)c1
InChIInChI=1S/C10H9ClN4O2/c11-8-5-7(1-3-12-8)10(16)13-4-2-9-14-6-15-17-9/h1,3,5-6H,2,4H2,(H,13,16)
InChIKeyNEVALKSOSFVSNH-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

6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103744003
4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103743986
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103744039
2,6-dihydroxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103890610
4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106409338
4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103799885
3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 113253186
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725
2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
CID 14054594
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide (CID 103743995) is 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide is O=C(NCCc1ncno1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is NEVALKSOSFVSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-8-5-7(1-3-12-8)10(16)13-4-2-9-14-6-15-17-9/h1,3,5-6H,2,4H2,(H,13,16).
What are the key properties of 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide?
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-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 2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 103743995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).