5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide

C13H11ClN6O2 — CID 133294819

IUPAC5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCc2nc(-c3ccco3)n[nH]2)c(Cl)c1
InChIInChI=1S/C13H11ClN6O2/c14-8-4-7(11(15)21)5-16-12(8)17-6-10-18-13(20-19-10)9-2-1-3-22-9/h1-5H,6H2,(H2,15,21)(H,16,17)(H,18,19,20)
InChIKeyZURNKMJFPQXZCP-UHFFFAOYSA-N
MW318.72 g/mol
LogP1.82
Rot. Bonds5

About 5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide

5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide (PubChem CID 133294819) has the molecular formula C13H11ClN6O2 and a molecular weight of 318.72 g/mol. Its IUPAC name is 5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide
PubChem CID133294819
Molecular FormulaC13H11ClN6O2
Molecular Weight318.72 g/mol
Exact Mass318.06
IUPAC Name5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCc2nc(-c3ccco3)n[nH]2)c(Cl)c1
InChIInChI=1S/C13H11ClN6O2/c14-8-4-7(11(15)21)5-16-12(8)17-6-10-18-13(20-19-10)9-2-1-3-22-9/h1-5H,6H2,(H2,15,21)(H,16,17)(H,18,19,20)
InChIKeyZURNKMJFPQXZCP-UHFFFAOYSA-N
XLogP1.82
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide (CID 133294819) is 5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(NCc2nc(-c3ccco3)n[nH]2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide?
The InChIKey is ZURNKMJFPQXZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O2/c14-8-4-7(11(15)21)5-16-12(8)17-6-10-18-13(20-19-10)9-2-1-3-22-9/h1-5H,6H2,(H2,15,21)(H,16,17)(H,18,19,20).
What are the key properties of 5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide?
5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide has a molecular weight of 318.72 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133294819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).