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

C14H10ClN5O2 — CID 75370633

IUPAC6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccn2)no1)c1cccc(Cl)n1
InChIInChI=1S/C14H10ClN5O2/c15-11-6-3-5-10(18-11)14(21)17-8-12-19-13(20-22-12)9-4-1-2-7-16-9/h1-7H,8H2,(H,17,21)
InChIKeyFHWBUORYIJBJTR-UHFFFAOYSA-N
MW315.72 g/mol
LogP2.11
Rot. Bonds4

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

6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide (PubChem CID 75370633) has the molecular formula C14H10ClN5O2 and a molecular weight of 315.72 g/mol. Its IUPAC name is 6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
PubChem CID75370633
Molecular FormulaC14H10ClN5O2
Molecular Weight315.72 g/mol
Exact Mass315.05
IUPAC Name6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccn2)no1)c1cccc(Cl)n1
InChIInChI=1S/C14H10ClN5O2/c15-11-6-3-5-10(18-11)14(21)17-8-12-19-13(20-22-12)9-4-1-2-7-16-9/h1-7H,8H2,(H,17,21)
InChIKeyFHWBUORYIJBJTR-UHFFFAOYSA-N
XLogP2.11
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide (CID 75370633) is 6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide is O=C(NCc1nc(-c2ccccn2)no1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
The InChIKey is FHWBUORYIJBJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O2/c15-11-6-3-5-10(18-11)14(21)17-8-12-19-13(20-22-12)9-4-1-2-7-16-9/h1-7H,8H2,(H,17,21).
What are the key properties of 6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide has a molecular weight of 315.72 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 75370633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).