2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide

C9H7ClN4O2 — CID 106396006

IUPAC2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ncon1)c1cccnc1Cl
InChIInChI=1S/C9H7ClN4O2/c10-8-6(2-1-3-11-8)9(15)12-4-7-13-5-16-14-7/h1-3,5H,4H2,(H,12,15)
InChIKeyZVWFZIJGLHBLSH-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.05
Rot. Bonds3

About 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide

2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 106396006) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
PubChem CID106396006
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ncon1)c1cccnc1Cl
InChIInChI=1S/C9H7ClN4O2/c10-8-6(2-1-3-11-8)9(15)12-4-7-13-5-16-14-7/h1-3,5H,4H2,(H,12,15)
InChIKeyZVWFZIJGLHBLSH-UHFFFAOYSA-N
XLogP1.05
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.05
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

2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106399917
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
CID 106406322
2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183970

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide (CID 106396006) is 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ncon1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZVWFZIJGLHBLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-8-6(2-1-3-11-8)9(15)12-4-7-13-5-16-14-7/h1-3,5H,4H2,(H,12,15).
What are the key properties of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide?
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 238.63 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106396006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).